smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name c1ccc(CC[N@@H+]2C[C@H]3OC[C@H](CNc4ncccn4)[C@H]3C2)cc1 ZINC000306126076 231083395 /nfs/dbraw/zinc/08/33/95/231083395.db2.gz DLSPIHXDBRVWPQ-RCCFBDPRSA-N 1 0 324.428 2.078 40 0 DEABRO O=C(OCc1ccccc1)N1CCC[C@@H]1C[N@@H+](CCO)C1CC1 ZINC000079391737 185168508 /nfs/dbraw/zinc/16/85/08/185168508.db2.gz GKQYBACIPUQSGB-QGZVFWFLSA-N 1 0 318.417 2.244 40 0 DEABRO C[n+]1c2ccccc2c(=O)n2c1[C@@H]1Nc3ccccc3[C@@H]1CC2 ZINC000090733845 185311739 /nfs/dbraw/zinc/31/17/39/185311739.db2.gz KFASAPQSLORVRQ-SUMWQHHRSA-N 1 0 304.373 2.480 40 0 biogenic,in-vitro DEABRO Cc1noc(C2(C)CCN(C(=O)[C@@]3(C)CCCC[N@H+]3C)CC2)n1 ZINC000072367347 191136710 /nfs/dbraw/zinc/13/67/10/191136710.db2.gz GZRFZXQDGCQCDD-QGZVFWFLSA-N 1 0 320.437 2.133 40 0 DEABRO CNc1cc(CC2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)ncn1 ZINC000072367484 191137697 /nfs/dbraw/zinc/13/76/97/191137697.db2.gz QJMLAIOOVJRSBI-HZPDHXFCSA-N 1 0 304.438 2.076 40 0 DEABRO Cc1cc(C)nc([C@@H]2CCN(C(=O)C[NH+]3CCCCCC3)C2)n1 ZINC000072369671 191139019 /nfs/dbraw/zinc/13/90/19/191139019.db2.gz XGSDCIFKZPVZOL-MRXNPFEDSA-N 1 0 316.449 2.285 40 0 DEABRO COc1ccc(N2C(=O)C[C@@H]([N@H+]3C[C@H](C)C[C@H](C)C3)C2=O)cc1 ZINC000005043831 181196512 /nfs/dbraw/zinc/19/65/12/181196512.db2.gz IYYCNRSLERBFNP-DVOMOZLQSA-N 1 0 316.401 2.305 40 0 DEABRO Cc1cc(S(=O)(=O)NCCC[NH+]2CCCCC2)ccc1F ZINC000078529627 191879524 /nfs/dbraw/zinc/87/95/24/191879524.db2.gz SRUVHQVVVZCMCC-UHFFFAOYSA-N 1 0 314.426 2.288 40 0 DEABRO COc1ccc(OC)c(C(=O)N2CCC[C@]3(CC[N@@H+]3C)C2)c1 ZINC000585101728 357332740 /nfs/dbraw/zinc/33/27/40/357332740.db2.gz BTNOAGOZOBXHLJ-KRWDZBQOSA-N 1 0 304.390 2.014 40 0 DEABRO c1cc2n(n1)[C@H](CC[NH+]1CCCC1)CN(Cc1ccccn1)C2 ZINC000585112761 357334965 /nfs/dbraw/zinc/33/49/65/357334965.db2.gz VXZVOGVJERFFOG-GOSISDBHSA-N 1 0 311.433 2.321 40 0 DEABRO CC[N@@H+]1CCO[C@@H]2CN(C(=O)c3ccccc3C)CC[C@@H]2C1 ZINC000585107913 357335114 /nfs/dbraw/zinc/33/51/14/357335114.db2.gz FFTPNGJWKYZIQT-NVXWUHKLSA-N 1 0 302.418 2.178 40 0 DEABRO O[C@@]1(COc2ccc(F)cc2)COCC[N@@H+](C2CCCC2)C1 ZINC000585268891 357339615 /nfs/dbraw/zinc/33/96/15/357339615.db2.gz CSPKRLYBPOPHHH-QGZVFWFLSA-N 1 0 309.381 2.210 40 0 DEABRO Cc1ccccc1OC[C@]1(O)CC[N@H+](CC2CCOCC2)C1 ZINC000585273335 357341334 /nfs/dbraw/zinc/34/13/34/357341334.db2.gz BYAZHYGLQLCJMZ-SFHVURJKSA-N 1 0 305.418 2.237 40 0 DEABRO COc1ccc(C[N@@H+]2CCC[C@@](CCC(N)=O)(OC)C2)c(F)c1 ZINC000585276766 357342648 /nfs/dbraw/zinc/34/26/48/357342648.db2.gz DQXKUJNFUILGQD-KRWDZBQOSA-N 1 0 324.396 2.081 40 0 DEABRO O[C@H]1[C@H](Oc2ccccc2)CCC[C@@H]1[NH2+]CCCn1ccnc1 ZINC000585288881 357344509 /nfs/dbraw/zinc/34/45/09/357344509.db2.gz KVDHXTGFEQUVMX-RCCFBDPRSA-N 1 0 315.417 2.224 40 0 DEABRO O[C@H]1[C@H](Oc2ccc(F)cc2)CCC[C@@H]1[NH2+]CCN1CCCC1 ZINC000585284996 357345140 /nfs/dbraw/zinc/34/51/40/357345140.db2.gz LFBNWTJCYWHJLW-RCCFBDPRSA-N 1 0 322.424 2.172 40 0 DEABRO Cc1nc2ccccc2nc1SCC(=O)NCCC[NH+](C)C ZINC000006796317 181390685 /nfs/dbraw/zinc/39/06/85/181390685.db2.gz NUYVIAZAMDUBKN-UHFFFAOYSA-N 1 0 318.446 2.098 40 0 DEABRO C[N@H+](Cc1cnccn1)[C@@H]1CCC[C@H](Oc2ccccc2)[C@H]1O ZINC000257302986 203027515 /nfs/dbraw/zinc/02/75/15/203027515.db2.gz SFHGRQBDAOTIRJ-SQNIBIBYSA-N 1 0 313.401 2.269 40 0 DEABRO O=C(c1cccc2c1OCCO2)N1CC[C@H]2[NH2+]CCCC[C@H]2C1 ZINC000257305992 203030351 /nfs/dbraw/zinc/03/03/51/203030351.db2.gz SSKRZGXTZKTPPD-DZGCQCFKSA-N 1 0 316.401 2.062 40 0 DEABRO CN(C(=O)c1ccccc1F)[C@@H]1CCC[C@@H]([NH+]2CCCC2)[C@@H]1O ZINC000257305312 203030717 /nfs/dbraw/zinc/03/07/17/203030717.db2.gz SPJHYQKLJXYWCJ-BRWVUGGUSA-N 1 0 320.408 2.276 40 0 DEABRO Fc1ccc(Nc2ncc(F)c(C[C@@H]3CCC[NH2+]C3)n2)nc1 ZINC000257280634 203009022 /nfs/dbraw/zinc/00/90/22/203009022.db2.gz OLQYDIOEYSVMEI-JTQLQIEISA-N 1 0 305.332 2.436 40 0 DEABRO COc1ccc([C@@H]2C[N@@H+](C3CCOCC3)CCN2C(C)=O)cc1 ZINC000257282000 203010013 /nfs/dbraw/zinc/01/00/13/203010013.db2.gz ORVOIWMPWOAEOU-SFHVURJKSA-N 1 0 318.417 2.079 40 0 DEABRO O=C(CCc1cccs1)N[C@@H]1CCC[C@@H]([NH+]2CCCC2)[C@@H]1O ZINC000257289328 203015841 /nfs/dbraw/zinc/01/58/41/203015841.db2.gz PYDOVFHUNJHHOD-BFYDXBDKSA-N 1 0 322.474 2.175 40 0 DEABRO CN(C)c1ncc(CN2CC[N@H+](C)[C@H](c3ccccc3)C2)cn1 ZINC000257318851 203042816 /nfs/dbraw/zinc/04/28/16/203042816.db2.gz VPQPFSCLJSTPGV-KRWDZBQOSA-N 1 0 311.433 2.031 40 0 DEABRO Cc1ncsc1-c1cc(C(=O)NC2CC[NH+](C)CC2)ccn1 ZINC000257319455 203042994 /nfs/dbraw/zinc/04/29/94/203042994.db2.gz VSQIDDORCUUYDB-UHFFFAOYSA-N 1 0 316.430 2.338 40 0 DEABRO CC(C)C[NH+]1CCC2(CC1)C(=O)NCCN2Cc1ccccc1 ZINC000096077196 193526745 /nfs/dbraw/zinc/52/67/45/193526745.db2.gz HUKJRSACPGCYRR-UHFFFAOYSA-N 1 0 315.461 2.109 40 0 DEABRO COc1ccc(OCCCC(=O)NCCC[NH+]2CCCC2)cc1 ZINC000013674956 181876764 /nfs/dbraw/zinc/87/67/64/181876764.db2.gz DVAOLOBDRPGLKB-UHFFFAOYSA-N 1 0 320.433 2.456 40 0 DEABRO COc1ccc(F)c(C[N@@H+]2CC[C@H](c3cc(=O)[nH]c(C)n3)C2)c1 ZINC000019285207 182111592 /nfs/dbraw/zinc/11/15/92/182111592.db2.gz PLESPRQIFGMIIP-LBPRGKRZSA-N 1 0 317.364 2.216 40 0 DEABRO CC[C@H](C)NC(=O)Cn1c([C@H]2CCC[NH2+]C2)cc2cccnc21 ZINC000019499978 182126057 /nfs/dbraw/zinc/12/60/57/182126057.db2.gz GQZZUIPODBVWTQ-ZFWWWQNUSA-N 1 0 314.433 2.418 40 0 DEABRO C[C@]12CN(Cc3ccccc3)C[C@@H]1NC(=O)c1ccccc1[C@@H]2[NH3+] ZINC000019461868 182124669 /nfs/dbraw/zinc/12/46/69/182124669.db2.gz TWXVMGOZCGGXHQ-BJLQDIEVSA-N 1 0 321.424 2.321 40 0 DEABRO Cn1cc(C[N@@H+]2CC[C@@]3(C[C@H](Nc4ccccc4)CO3)C2)cn1 ZINC000096218802 256553822 /nfs/dbraw/zinc/55/38/22/256553822.db2.gz OAOYSQIVQKIEIQ-ZWKOTPCHSA-N 1 0 312.417 2.266 40 0 DEABRO Cc1cc(N2CCN(C(=O)OC(C)(C)C)CC2)ncc1[C@@H](C)[NH3+] ZINC000072223659 257123626 /nfs/dbraw/zinc/12/36/26/257123626.db2.gz SFKRYPHFEPEKKN-CYBMUJFWSA-N 1 0 320.437 2.467 40 0 DEABRO C[NH+](C)CCNC(=O)CSCc1ccc(Cl)cc1F ZINC000224335987 257233000 /nfs/dbraw/zinc/23/30/00/257233000.db2.gz FIGWWAZIQBNNKW-UHFFFAOYSA-N 1 0 304.818 2.390 40 0 DEABRO C[C@@H]1CCC[C@H]1OC[C@@H](O)C[NH+]1CCN(c2ccccc2)CC1 ZINC000012414223 134663702 /nfs/dbraw/zinc/66/37/02/134663702.db2.gz AUWAPBFAZFRFCV-NZSAHSFTSA-N 1 0 318.461 2.375 40 0 DEABRO Brc1cccc(-c2ccc(N3CC[NH2+]CC3)nn2)c1 ZINC000071976790 401699890 /nfs/dbraw/zinc/69/98/90/401699890.db2.gz IXHCPHYCJSVWBX-UHFFFAOYSA-N 1 0 319.206 2.316 40 0 DEABRO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1cnc(N2CCCCC2)nc1 ZINC000072324574 401709310 /nfs/dbraw/zinc/70/93/10/401709310.db2.gz VGTHMCIEADFXIZ-DOTOQJQBSA-N 1 0 315.465 2.135 40 0 DEABRO C[C@@H]1C[NH+](CCCCN2C(=O)c3ccccc3C2=O)C[C@@H](C)O1 ZINC000025326435 401833084 /nfs/dbraw/zinc/83/30/84/401833084.db2.gz OCMWTSBWJSCCOO-ZIAGYGMSSA-N 1 0 316.401 2.172 40 0 DEABRO Cc1cccc(NC(=O)[C@H]2C=C(O)NC(Nc3ccccc3)=[NH+]2)c1 ZINC000014606990 401812523 /nfs/dbraw/zinc/81/25/23/401812523.db2.gz YTPARIXRROLYGZ-OAHLLOKOSA-N 1 0 322.368 2.290 40 0 DEABRO C[NH+](C)CCCNC(=O)COc1cccc(C(F)(F)F)c1 ZINC000045164612 401954852 /nfs/dbraw/zinc/95/48/52/401954852.db2.gz WXYZKXPXJOFOKZ-UHFFFAOYSA-N 1 0 304.312 2.152 40 0 DEABRO COC[C@@H]1CC2(CO1)CC[NH+](Cc1ccc3c(c1)OCO3)CC2 ZINC000096105756 402059160 /nfs/dbraw/zinc/05/91/60/402059160.db2.gz XGXQWJWPKLNGNR-HNNXBMFYSA-N 1 0 319.401 2.433 40 0 DEABRO Cc1noc(C)c1CN1CCO[C@H]2[C@@H](OCC3CC3)CC[C@@H]21 ZINC000096042064 402048699 /nfs/dbraw/zinc/04/86/99/402048699.db2.gz YVAKUFSMNUGEIO-YESZJQIVSA-N 1 0 306.406 2.450 40 0 DEABRO c1coc(CN2CCO[C@H]3[C@H](OCC4CCOCC4)CC[C@@H]32)c1 ZINC000096041636 402048891 /nfs/dbraw/zinc/04/88/91/402048891.db2.gz FFWNVEWYIBPIQU-RCCFBDPRSA-N 1 0 321.417 2.455 40 0 DEABRO c1csc(CN2C[C@@H]([NH+]3CCCC3)[C@H]3OCCC[C@H]3C2)n1 ZINC000096040596 402048922 /nfs/dbraw/zinc/04/89/22/402048922.db2.gz PWRUBLUFPVKNJE-LZWOXQAQSA-N 1 0 307.463 2.218 40 0 DEABRO c1ccc(CN2CCO[C@H]3[C@H](Oc4ccccn4)CC[C@@H]32)nc1 ZINC000096041862 402049032 /nfs/dbraw/zinc/04/90/32/402049032.db2.gz JSLJOEFDMGOOJA-LZLYRXPVSA-N 1 0 311.385 2.287 40 0 DEABRO O=C(NC1CC1)[C@@H]1C[C@@H]2CC[N@H+](Cc3ccsc3)C[C@H]2O1 ZINC000096042998 402049382 /nfs/dbraw/zinc/04/93/82/402049382.db2.gz UCVQFRRXAMLXGR-AEGPPILISA-N 1 0 306.431 2.006 40 0 DEABRO Cn1cnc2c1[C@H](COCC1CC1)C[N@H+](CC1CCOCC1)C2 ZINC000096044940 402049702 /nfs/dbraw/zinc/04/97/02/402049702.db2.gz HOLSWJJFYVFYJK-INIZCTEOSA-N 1 0 319.449 2.173 40 0 DEABRO O=C(Cc1cccnc1)N1CCC[C@@]2(CC[N@H+](CC3CC3)C2)C1 ZINC000096047138 402050486 /nfs/dbraw/zinc/05/04/86/402050486.db2.gz PAGVNIULLOHTNG-IBGZPJMESA-N 1 0 313.445 2.349 40 0 DEABRO c1csc(CN2CCOC3(CC[NH+](CC4CC4)CC3)C2)n1 ZINC000096048991 402050627 /nfs/dbraw/zinc/05/06/27/402050627.db2.gz NHBIKASGUIHQRM-UHFFFAOYSA-N 1 0 307.463 2.220 40 0 DEABRO COCC[N@@H+]1CCOC[C@@]2(CCCN(Cc3ccc(C)o3)C2)C1 ZINC000096049465 402050976 /nfs/dbraw/zinc/05/09/76/402050976.db2.gz OIODWXLRGXLYRZ-SFHVURJKSA-N 1 0 322.449 2.149 40 0 DEABRO Cc1noc([C@H]2CC[C@@H]3[C@@H](CC[N@@H+]3Cc3cccnc3)O2)n1 ZINC000096057521 402053510 /nfs/dbraw/zinc/05/35/10/402053510.db2.gz XJBHFEHBKRVRIT-RBSFLKMASA-N 1 0 300.362 2.268 40 0 DEABRO CN(C)C(=O)[C@@H]1CC[C@@H]2[C@@H](CC[N@@H+]2Cc2ccc(F)cc2)O1 ZINC000096057324 402053540 /nfs/dbraw/zinc/05/35/40/402053540.db2.gz RSOCSDMNHYTXDJ-OAGGEKHMSA-N 1 0 306.381 2.036 40 0 DEABRO O=C([C@@H]1CCO[C@@H]2CC[N@H+](Cc3ccoc3)C[C@H]21)N1CCCC1 ZINC000096058264 402054375 /nfs/dbraw/zinc/05/43/75/402054375.db2.gz MZHXUVCNBOVNBQ-IXDOHACOSA-N 1 0 318.417 2.129 40 0 DEABRO COCCn1cc2c(n1)[C@@H](C[NH2+]Cc1ccc(F)cc1)OCC2 ZINC000096059701 402054432 /nfs/dbraw/zinc/05/44/32/402054432.db2.gz CIDAQCXJGDKXPY-MRXNPFEDSA-N 1 0 319.380 2.072 40 0 DEABRO O=C(c1cscn1)N1C[C@@H]2C[NH+](CC3CCCC3)C[C@H]2C1 ZINC000096080972 402056767 /nfs/dbraw/zinc/05/67/67/402056767.db2.gz YDEFBYREERBPKZ-KBPBESRZSA-N 1 0 305.447 2.337 40 0 DEABRO Cc1cccc(C(=O)N2CC[C@]3(CC[N@@H+]3C[C@@H]3CCCO3)C2)c1 ZINC000096076021 402057128 /nfs/dbraw/zinc/05/71/28/402057128.db2.gz GLVIVQROPZRUQB-HKUYNNGSSA-N 1 0 314.429 2.464 40 0 DEABRO Cc1ccc(N2CC[C@@H]3C[N@H+](Cc4cccc(C)n4)C[C@@H]3C2)nn1 ZINC000096081481 402057847 /nfs/dbraw/zinc/05/78/47/402057847.db2.gz JWBUEHYRODADCS-IAGOWNOFSA-N 1 0 323.444 2.447 40 0 DEABRO COC[C@@H]1CCC2(CCN(C(=O)c3csc(C)n3)CC2)[N@@H+]1C ZINC000096208659 402069696 /nfs/dbraw/zinc/06/96/96/402069696.db2.gz CXIWRGHWKYEPPQ-ZDUSSCGKSA-N 1 0 323.462 2.167 40 0 DEABRO O=C1C[C@]2(CC[N@H+](Cc3ccccn3)C2)CN1c1ccccn1 ZINC000096239141 402073349 /nfs/dbraw/zinc/07/33/49/402073349.db2.gz LJTYDGNXKJYDNZ-SFHVURJKSA-N 1 0 308.385 2.106 40 0 DEABRO O=C1[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2CN1Cc1ccncc1 ZINC000096245149 402073812 /nfs/dbraw/zinc/07/38/12/402073812.db2.gz SLQBCQMLTDHWEI-ROUUACIJSA-N 1 0 307.397 2.172 40 0 DEABRO O=C1C[C@@]2(CC[N@H+](Cc3cccs3)C2)CN1c1cncnc1 ZINC000096239200 402074279 /nfs/dbraw/zinc/07/42/79/402074279.db2.gz IEJGOMMPVBIDHK-MRXNPFEDSA-N 1 0 314.414 2.167 40 0 DEABRO CCC1=N[C@@]2(CC[C@@H]3C[N@H+](CCOC)C[C@@H]32)C(=O)N1CC(C)C ZINC000096261687 402076235 /nfs/dbraw/zinc/07/62/35/402076235.db2.gz MZWRRULIWZUOTK-RVKKMQEKSA-N 1 0 321.465 2.020 40 0 DEABRO c1cnc(N2CCOC3(CC[NH+](CC4CCCC4)CC3)C2)nc1 ZINC000096159045 402063228 /nfs/dbraw/zinc/06/32/28/402063228.db2.gz JCRGLIJDKINFFO-UHFFFAOYSA-N 1 0 316.449 2.338 40 0 DEABRO CN(C)C(=O)N1CCC2(C1)CC[NH+](Cc1ccccn1)CC2 ZINC000096157578 402063312 /nfs/dbraw/zinc/06/33/12/402063312.db2.gz MMCXTSLXFFOFFZ-UHFFFAOYSA-N 1 0 302.422 2.051 40 0 DEABRO Cn1ccnc1C[N@@H+]1CC[C@]2(CCN(c3ccsc3)C2=O)C1 ZINC000096159538 402063449 /nfs/dbraw/zinc/06/34/49/402063449.db2.gz DMCAAEYZOYQDTP-INIZCTEOSA-N 1 0 316.430 2.111 40 0 DEABRO O=C(NC[C@@H]1OC[C@H]2C[N@H+](Cc3ccsc3)CC[C@@H]12)C1CC1 ZINC000096185296 402065509 /nfs/dbraw/zinc/06/55/09/402065509.db2.gz JWQBFXSFAWSZNN-OAGGEKHMSA-N 1 0 320.458 2.111 40 0 DEABRO O=C(NC1CC1)[C@H]1CC[C@@H]2[C@@H](CC[N@@H+]2Cc2ccsc2)O1 ZINC000096187264 402066120 /nfs/dbraw/zinc/06/61/20/402066120.db2.gz HPMSQNMLTZWDMT-RBSFLKMASA-N 1 0 306.431 2.149 40 0 DEABRO c1cncc(C[C@H]2[C@@H](OCC3CC3)CC[N@@H+]2[C@@H]2CCOC2)c1 ZINC000096200559 402068080 /nfs/dbraw/zinc/06/80/80/402068080.db2.gz RUSYQJTWRATFLC-SQNIBIBYSA-N 1 0 302.418 2.283 40 0 DEABRO C[NH+](C)CCOC[C@@H]1CC[C@@H]2[C@H]1OCCN2Cc1cccs1 ZINC000248031847 402580942 /nfs/dbraw/zinc/58/09/42/402580942.db2.gz TZDISLJCDSEHBM-UAGQMJEPSA-N 1 0 324.490 2.306 40 0 DEABRO C[C@H]1[C@H](CC[NH+](C)C)COCCN1C(=O)c1ccc(F)cc1 ZINC000248070953 402582366 /nfs/dbraw/zinc/58/23/66/402582366.db2.gz AXUVEOSJLSXCAA-DZGCQCFKSA-N 1 0 308.397 2.255 40 0 DEABRO CCN(CCC[NH+]1CCCC1)C(=O)NC1C[C@@H](C)O[C@@H](C)C1 ZINC000190232564 402585816 /nfs/dbraw/zinc/58/58/16/402585816.db2.gz MYKUITGGAIKOJX-XYPWUTKMSA-N 1 0 311.470 2.460 40 0 DEABRO Cc1ccc(C(=O)NCCCN2CC[NH+](C)CC2)c(Cl)c1 ZINC000191152554 402645876 /nfs/dbraw/zinc/64/58/76/402645876.db2.gz UISYAABHPOMSFF-UHFFFAOYSA-N 1 0 309.841 2.016 40 0 DEABRO CCCc1cc(C(=O)N2CCC[C@]3(C)[NH2+]CCC[C@@H]23)n(C)n1 ZINC000257222147 402705017 /nfs/dbraw/zinc/70/50/17/402705017.db2.gz DSCYHFUSRFDQRQ-WBVHZDCISA-N 1 0 304.438 2.119 40 0 DEABRO Cc1nc(C)c(CC(=O)N2CCC[C@H]3[NH2+]CCC[C@@]32C)s1 ZINC000257225788 402705545 /nfs/dbraw/zinc/70/55/45/402705545.db2.gz FHVBXRWYOAIDDH-ZBFHGGJFSA-N 1 0 307.463 2.436 40 0 DEABRO CC(C)(C)C(=O)N1CCC(c2nnc(C3CC[NH2+]CC3)o2)CC1 ZINC000257244991 402708138 /nfs/dbraw/zinc/70/81/38/402708138.db2.gz INQZTVCUEUAAPJ-UHFFFAOYSA-N 1 0 320.437 2.289 40 0 DEABRO CNC(=O)C[N@@H+]1CCC[C@@H](Cc2ccnc3ccncc23)CC1 ZINC000257247084 402708169 /nfs/dbraw/zinc/70/81/69/402708169.db2.gz IXIZMDYGLOTTFV-CQSZACIVSA-N 1 0 312.417 2.020 40 0 DEABRO CNc1cnc(C[C@H]2CCC[N@H+](Cc3cc[nH]n3)CC2)cn1 ZINC000257258851 402709656 /nfs/dbraw/zinc/70/96/56/402709656.db2.gz KVTZKKCPBCQMFU-ZDUSSCGKSA-N 1 0 300.410 2.086 40 0 DEABRO Cc1c(C[N@H+](C)[C@@H]2CC[C@H](Oc3ccccc3)[C@H]2O)cnn1C ZINC000257262517 402710238 /nfs/dbraw/zinc/71/02/38/402710238.db2.gz LLSNCSUXVMLZCH-SQNIBIBYSA-N 1 0 315.417 2.131 40 0 DEABRO CC(=O)N1[C@H](c2ccccc2)C[C@@H]2[C@@H]1CCCC[N@@H+]2CCO ZINC000257203382 402702410 /nfs/dbraw/zinc/70/24/10/402702410.db2.gz APTXWXYGGDIIET-OKZBNKHCSA-N 1 0 302.418 2.195 40 0 DEABRO O[C@H]1CCCOC12CC[NH+](CCOc1ccc(F)cc1)CC2 ZINC000257201428 402702512 /nfs/dbraw/zinc/70/25/12/402702512.db2.gz AHRAPAWICKILSP-INIZCTEOSA-N 1 0 309.381 2.210 40 0 DEABRO Cc1nc[nH]c1C[N@H+]1CCC[C@H](c2ccc3cnn(C)c3n2)C1 ZINC000257208258 402703081 /nfs/dbraw/zinc/70/30/81/402703081.db2.gz BLJFNYKLKUHVLD-AWEZNQCLSA-N 1 0 310.405 2.379 40 0 DEABRO CNc1nc(NCc2ccc(F)cc2)cc(-c2ccncc2)n1 ZINC000329063311 404217046 /nfs/dbraw/zinc/21/70/46/404217046.db2.gz XCHLFWFDHKBXDU-UHFFFAOYSA-N 1 0 309.348 2.175 40 0 DEABRO O=C(c1ccnc2ccncc21)N1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000333856751 268997222 /nfs/dbraw/zinc/99/72/22/268997222.db2.gz RCUOKGBANQOMNQ-GUYCJALGSA-N 1 0 310.401 2.234 40 0 DEABRO COc1cc2c(cc1OC)[C@@]13CC[NH2+][C@@H](C2)[C@@H]1CCC(=O)C3 ZINC000096316416 277855104 /nfs/dbraw/zinc/85/51/04/277855104.db2.gz GZZOFTMOJHVMPV-DHSIGJKJSA-N 1 0 301.386 2.229 40 0 biogenic,in-vitro DEABRO O=C(N[C@@H]1CCCc2ccccc21)C1=NOC2(C1)CC[NH2+]CC2 ZINC000096088456 279890687 /nfs/dbraw/zinc/89/06/87/279890687.db2.gz WALPSNIDTLAWKR-OAHLLOKOSA-N 1 0 313.401 2.079 40 0 DEABRO O=C1NCC[C@]12C[N@H+](CC1CCOCC1)C[C@H]2c1ccccc1 ZINC000096201830 280291006 /nfs/dbraw/zinc/29/10/06/280291006.db2.gz XUQRURFFSNMRPC-PKOBYXMFSA-N 1 0 314.429 2.019 40 0 DEABRO O=C(OCc1ccccc1)N1CCC[C@@]2(COCC[NH2+]2)CC1 ZINC000306145610 534565203 /nfs/dbraw/zinc/56/52/03/534565203.db2.gz KMECBIMQBZPRHK-KRWDZBQOSA-N 1 0 304.390 2.168 40 0 DEABRO [NH3+]CCN1CC[C@H](CN(C(=O)OCc2ccccc2)C2CC2)C1 ZINC000079391018 185168107 /nfs/dbraw/zinc/16/81/07/185168107.db2.gz XITGORGLZPMAPN-INIZCTEOSA-N 1 0 317.433 2.068 40 0 DEABRO c1ccc(COC[C@@H]2C[NH2+]CCN(Cc3ccncc3)C2)cc1 ZINC000072354442 191129059 /nfs/dbraw/zinc/12/90/59/191129059.db2.gz NQTQHLVTSYGPRN-LJQANCHMSA-N 1 0 311.429 2.320 40 0 DEABRO C[NH+]1CCC(c2nccnc2NCCC2(O)CCCC2)CC1 ZINC000072365544 191134093 /nfs/dbraw/zinc/13/40/93/191134093.db2.gz DSDUJCVIRPYZPV-UHFFFAOYSA-N 1 0 304.438 2.393 40 0 DEABRO CNC(=O)CCc1cc(C)nc([C@H]2CCC[N@@H+](C(C)C)C2)n1 ZINC000072366391 191135006 /nfs/dbraw/zinc/13/50/06/191135006.db2.gz WAWSOQSFVQTWFG-AWEZNQCLSA-N 1 0 304.438 2.051 40 0 DEABRO Cc1nccc(C[N@@H+]2CC[C@H](c3nc(-c4cccnc4)no3)C2)n1 ZINC000072389893 191148424 /nfs/dbraw/zinc/14/84/24/191148424.db2.gz BFCWAQQMIDJMNI-AWEZNQCLSA-N 1 0 322.372 2.220 40 0 DEABRO COc1ccc(N2C(=O)C[C@@H]([N@@H+]3CCC[C@@H](C)C3)C2=O)cc1 ZINC000005043824 181196207 /nfs/dbraw/zinc/19/62/07/181196207.db2.gz CQAJQFNBTOERDU-IUODEOHRSA-N 1 0 302.374 2.059 40 0 DEABRO O=C(C1CCC1)N1CC2(C1)CC[C@H](C[NH+]1CCCCC1)CO2 ZINC000575406365 356751421 /nfs/dbraw/zinc/75/14/21/356751421.db2.gz NQDFIEKGZRDVKC-OAHLLOKOSA-N 1 0 306.450 2.280 40 0 DEABRO CCCC[N@@H+]1CCC[C@@]2(CCC(=O)N2CC(=O)NC(C)C)CC1 ZINC000585100064 357332781 /nfs/dbraw/zinc/33/27/81/357332781.db2.gz DRFIFYYLYRPCMC-GOSISDBHSA-N 1 0 323.481 2.158 40 0 DEABRO O=C(N1CCC2(C[C@H]([NH+]3CCCC3)CO2)CC1)C1(F)CCC1 ZINC000585100003 357333425 /nfs/dbraw/zinc/33/34/25/357333425.db2.gz RQZGMWDCVYZYAB-AWEZNQCLSA-N 1 0 310.413 2.125 40 0 DEABRO O=C1CC[C@]2(CCC[N@H+](Cc3cccnc3)CC2)N1CCF ZINC000585100768 357333447 /nfs/dbraw/zinc/33/34/47/357333447.db2.gz VZUPRJRGDZBCDS-KRWDZBQOSA-N 1 0 305.397 2.398 40 0 DEABRO COC[C@@H]1CC2(C[N@@H+]1C)CCN(C(=O)c1csc(C)n1)CC2 ZINC000585103537 357333789 /nfs/dbraw/zinc/33/37/89/357333789.db2.gz JCABMFBMTKPCHW-ZDUSSCGKSA-N 1 0 323.462 2.024 40 0 DEABRO Cc1cccc(C[N@H+]2CCOC[C@@]3(CC(=O)N(C(C)C)C3)C2)c1 ZINC000585104865 357334159 /nfs/dbraw/zinc/33/41/59/357334159.db2.gz VZOPDRGJOYRNNI-IBGZPJMESA-N 1 0 316.445 2.454 40 0 DEABRO CC(C)[N@@H+]1CCOC[C@@]2(CC(=O)N(Cc3ccccc3)C2)C1 ZINC000585103502 357334185 /nfs/dbraw/zinc/33/41/85/357334185.db2.gz CXNJMAXORRAGNF-SFHVURJKSA-N 1 0 302.418 2.146 40 0 DEABRO C[N@@H+]1C[C@@H](COCC2CC2)[C@]2(CCN(C(=O)C3(F)CCC3)C2)C1 ZINC000585102779 357334424 /nfs/dbraw/zinc/33/44/24/357334424.db2.gz HIFLCYZEILEWAH-DOTOQJQBSA-N 1 0 324.440 2.086 40 0 DEABRO CC(C)[N@H+]1C[C@H]2c3ccccc3[C@@H](NC(=O)C3CC(O)C3)[C@H]2C1 ZINC000585109766 357334944 /nfs/dbraw/zinc/33/49/44/357334944.db2.gz RAGIWBFIHLUFGW-AAKDXYGKSA-N 1 0 314.429 2.052 40 0 DEABRO C[N@@H+]1CCC[C@H]1c1cccc(N2CC3(CCOCC3)OC2=O)n1 ZINC000585178808 357340147 /nfs/dbraw/zinc/34/01/47/357340147.db2.gz RJJSOQHNIVTABC-AWEZNQCLSA-N 1 0 317.389 2.354 40 0 DEABRO Cc1nc[nH]c1C[N@@H+]1CC[C@H](Cc2ccccc2F)[C@@H](O)C1 ZINC000585278262 357343182 /nfs/dbraw/zinc/34/31/82/357343182.db2.gz AQQZFOIKSGRHIV-PBHICJAKSA-N 1 0 303.381 2.283 40 0 DEABRO Cc1cc(OC[C@@]2(O)C[N@@H+](C3CCCC3)CC[C@@H]2O)ccc1F ZINC000585281588 357343230 /nfs/dbraw/zinc/34/32/30/357343230.db2.gz LUICNGUMRNDIKW-ROUUACIJSA-N 1 0 323.408 2.253 40 0 DEABRO Cc1ccccc1OC[C@]1(O)COCC[N@@H+](C2CCCC2)C1 ZINC000585277817 357343364 /nfs/dbraw/zinc/34/33/64/357343364.db2.gz YDUGWMUEWWWTNW-GOSISDBHSA-N 1 0 305.418 2.380 40 0 DEABRO Cc1cnn(C)c1C[N@@H+]1CC[C@H](Cc2ccccc2F)[C@@H](O)C1 ZINC000585279511 357343615 /nfs/dbraw/zinc/34/36/15/357343615.db2.gz NKVJWXMOONBDFX-QAPCUYQASA-N 1 0 317.408 2.293 40 0 DEABRO Cc1nc([C@@H]2CC[NH2+]C2)nc2c1CC(=O)N2CC1CCCCC1 ZINC000257276308 203004198 /nfs/dbraw/zinc/00/41/98/203004198.db2.gz NTDPIPKNGPSMEX-CQSZACIVSA-N 1 0 314.433 2.331 40 0 DEABRO Cc1noc(C)c1CCC(=O)N1CC[NH2+]C[C@H]1c1ccccc1 ZINC000257304589 203029385 /nfs/dbraw/zinc/02/93/85/203029385.db2.gz SMINOTYMMNGSCZ-KRWDZBQOSA-N 1 0 313.401 2.397 40 0 DEABRO Cc1c(C[N@@H+]2CC[C@H](Oc3ccccc3)[C@@](C)(O)C2)cnn1C ZINC000257279864 203009026 /nfs/dbraw/zinc/00/90/26/203009026.db2.gz OIMOYBYBGVXCLW-ROUUACIJSA-N 1 0 315.417 2.133 40 0 DEABRO CCN(C(=O)OC(C)(C)C)[C@H]1CC[C@H](NC(=O)[C@H](C)[NH3+])CC1 ZINC000100177814 284193869 /nfs/dbraw/zinc/19/38/69/284193869.db2.gz BSBDPKZEEHABGV-RWMBFGLXSA-N 1 0 313.442 2.018 40 0 DEABRO c1cn2c(n1)CN(Cc1ccccn1)C[C@@H](C[NH+]1CCCC1)C2 ZINC000096188354 193568804 /nfs/dbraw/zinc/56/88/04/193568804.db2.gz CCJWIGHJQVHNOD-MRXNPFEDSA-N 1 0 311.433 2.006 40 0 DEABRO O[C@@H]1C[C@@H](c2nc(-c3ccccc3)no2)[N@@H+](C2CCOCC2)C1 ZINC000015674105 182011572 /nfs/dbraw/zinc/01/15/72/182011572.db2.gz NYLRAWPMYPEXAN-CABCVRRESA-N 1 0 315.373 2.023 40 0 biogenic,in-vitro DEABRO [NH3+][C@@H](Cc1cc(=O)[nH]c(-c2ccccn2)n1)c1ccc(F)cc1 ZINC000019402918 182121564 /nfs/dbraw/zinc/12/15/64/182121564.db2.gz UGALPEZPBKJABS-AWEZNQCLSA-N 1 0 310.332 2.214 40 0 DEABRO CCc1ccc(OCC(=O)NCCC2CC[NH+](C)CC2)cc1 ZINC000156354042 197107145 /nfs/dbraw/zinc/10/71/45/197107145.db2.gz USTDBSFKKNYVKR-UHFFFAOYSA-N 1 0 304.434 2.476 40 0 DEABRO COc1cc(OC)c([C@H](C[NH3+])N2CCC[C@H](C)C2)c(OC)c1 ZINC000062712645 257128699 /nfs/dbraw/zinc/12/86/99/257128699.db2.gz HURJVMTZXCIYKX-JSGCOSHPSA-N 1 0 308.422 2.444 40 0 DEABRO CC[NH+]1CCN([C@H](c2nnnn2C2CCCC2)C(C)C)CC1 ZINC000035291301 285336704 /nfs/dbraw/zinc/33/67/04/285336704.db2.gz RQZPCTCIQPWBPH-HNNXBMFYSA-N 1 0 306.458 2.123 40 0 DEABRO O=C(Nc1ccccc1C(=O)NC1CC[NH2+]CC1)c1ccco1 ZINC000006926864 401734640 /nfs/dbraw/zinc/73/46/40/401734640.db2.gz OJOXFDOHVLFAOV-UHFFFAOYSA-N 1 0 313.357 2.014 40 0 DEABRO COc1ccc(C(=O)OC2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc1OC ZINC000000525855 401700077 /nfs/dbraw/zinc/70/00/77/401700077.db2.gz AEFPCFUCFQBXDQ-PBWFPOADSA-N 1 0 305.374 2.486 40 0 in-vitro DEABRO C[NH+](C)CCOC(=O)[C@@](O)(Cc1ccccc1)c1ccccc1 ZINC000001853105 401711227 /nfs/dbraw/zinc/71/12/27/401711227.db2.gz YPVKSOYSHKHDNW-LJQANCHMSA-N 1 0 313.397 2.222 40 0 DEABRO C[C@@H](O)[C@@H](C[NH+]1CCCC1)N(C)C(=O)OCc1ccccc1 ZINC000002513013 401714687 /nfs/dbraw/zinc/71/46/87/401714687.db2.gz CTTIQIOTCUBWFN-GDBMZVCRSA-N 1 0 306.406 2.100 40 0 DEABRO Cc1nc2c(c(=O)[nH]1)C[N@H+](Cc1ccc3ccccc3n1)CC2 ZINC000012145335 401780489 /nfs/dbraw/zinc/78/04/89/401780489.db2.gz KZNCHPANIPIPCX-UHFFFAOYSA-N 1 0 306.369 2.185 40 0 DEABRO c1ccc(CO[C@@H]2CO[C@@]3(CC[N@@H+](C4CCOCC4)C3)C2)nc1 ZINC000096107645 402059115 /nfs/dbraw/zinc/05/91/15/402059115.db2.gz JMJWMXFESOIHPI-ROUUACIJSA-N 1 0 318.417 2.011 40 0 DEABRO c1ccc(O[C@H]2CO[C@@]3(CC[N@@H+](CC4CCOCC4)C3)C2)nc1 ZINC000096107840 402059621 /nfs/dbraw/zinc/05/96/21/402059621.db2.gz YRDHSQLZXJZFKQ-AEFFLSMTSA-N 1 0 318.417 2.120 40 0 DEABRO COc1cc(N2CCC[C@@]3(CC[N@H+](CC(C)C)C3)C2)ncn1 ZINC000096046938 402050468 /nfs/dbraw/zinc/05/04/68/402050468.db2.gz XDGXWQHSIFQLQK-KRWDZBQOSA-N 1 0 304.438 2.434 40 0 DEABRO CN(C)C(=O)[C@H]1C[C@]2(CO1)CCC[N@H+](Cc1cccs1)C2 ZINC000096048881 402050828 /nfs/dbraw/zinc/05/08/28/402050828.db2.gz OZCJGGOLIJLVBT-GDBMZVCRSA-N 1 0 308.447 2.207 40 0 DEABRO CC(C)[N@@H+]1CCOC[C@@]2(CN(Cc3ccsc3)CCO2)C1 ZINC000096049720 402051221 /nfs/dbraw/zinc/05/12/21/402051221.db2.gz UTWMHJOYZMDPGD-MRXNPFEDSA-N 1 0 310.463 2.060 40 0 DEABRO Cn1cc(N2CC[C@@]3(CC[N@H+](Cc4ccsc4)C3)C2=O)cn1 ZINC000096050514 402051923 /nfs/dbraw/zinc/05/19/23/402051923.db2.gz FBEUYKHDSYCAIV-MRXNPFEDSA-N 1 0 316.430 2.111 40 0 DEABRO Cc1cccc(CO[C@H]2C[C@@H]3C[N@H+](CC4CC4)CCN3C2)n1 ZINC000096055107 402052432 /nfs/dbraw/zinc/05/24/32/402052432.db2.gz PLAAWENGSOKAHA-MSOLQXFVSA-N 1 0 301.434 2.075 40 0 DEABRO c1cc(CN2CC[N@@H+]3C[C@H](OCc4ccccn4)C[C@@H]3C2)co1 ZINC000096055114 402052445 /nfs/dbraw/zinc/05/24/45/402052445.db2.gz ZTYRPVKALQMTBF-QZTJIDSGSA-N 1 0 313.401 2.150 40 0 DEABRO O=C1CC[C@@H]2[C@@H](CC[N@@H+]2Cc2ccco2)N1Cc1ccncc1 ZINC000096056597 402052809 /nfs/dbraw/zinc/05/28/09/402052809.db2.gz RQAISFQTTHVAGV-IAGOWNOFSA-N 1 0 311.385 2.440 40 0 DEABRO O=C(NCC1CC1)[C@@H]1CCC2(CC[NH+](Cc3ccoc3)CC2)O1 ZINC000096061163 402054712 /nfs/dbraw/zinc/05/47/12/402054712.db2.gz OINLAZYPIMNDMQ-INIZCTEOSA-N 1 0 318.417 2.319 40 0 DEABRO O=C1NC2(C[C@H]1c1cccnc1)CC[NH+](Cc1ccccn1)CC2 ZINC000096061385 402054931 /nfs/dbraw/zinc/05/49/31/402054931.db2.gz KOGCLEPHMLSGEQ-KRWDZBQOSA-N 1 0 322.412 2.115 40 0 DEABRO CC(C)[N@H+](C)Cc1cnc2n1CCN(C(=O)c1ccsc1)C2 ZINC000096061782 402055492 /nfs/dbraw/zinc/05/54/92/402055492.db2.gz SDQQPOOHYPPPLT-UHFFFAOYSA-N 1 0 318.446 2.441 40 0 DEABRO COC[C@@]12CCCO[C@H]1CC[N@H+](Cc1ccc3c(c1)OCO3)C2 ZINC000096064982 402055832 /nfs/dbraw/zinc/05/58/32/402055832.db2.gz IHXWMLCYEYRLKV-ROUUACIJSA-N 1 0 319.401 2.433 40 0 DEABRO c1csc(C[N@@H+]2CC[C@@]3(C[C@H](Nc4cnccn4)CO3)C2)c1 ZINC000096072749 402056465 /nfs/dbraw/zinc/05/64/65/402056465.db2.gz HGXPZIRZDGMRHM-XJKSGUPXSA-N 1 0 316.430 2.384 40 0 DEABRO Cc1ccccc1N1C[C@@]2(CC[N@@H+](Cc3cncn3C)C2)CC1=O ZINC000096077420 402057083 /nfs/dbraw/zinc/05/70/83/402057083.db2.gz IMXKQGHMYLBDGJ-IBGZPJMESA-N 1 0 324.428 2.358 40 0 DEABRO CC[N@@H+]1CCOC[C@@]2(CCCN(C(=O)Cc3ccccc3)C2)C1 ZINC000096076504 402057194 /nfs/dbraw/zinc/05/71/94/402057194.db2.gz WCQAJCOMFYBRJB-IBGZPJMESA-N 1 0 316.445 2.190 40 0 DEABRO O=C1C[C@@H](c2ccncc2)C2(CC[NH+](Cc3ccncc3)CC2)N1 ZINC000096087451 402057741 /nfs/dbraw/zinc/05/77/41/402057741.db2.gz NQAOKVTUIZAPPF-KRWDZBQOSA-N 1 0 322.412 2.115 40 0 DEABRO O=C1CCCN1[C@@H]1CCO[C@]2(CC[N@H+](Cc3ccco3)C2)C1 ZINC000096207618 402069421 /nfs/dbraw/zinc/06/94/21/402069421.db2.gz KUZBSICAKHQLQZ-RHSMWYFYSA-N 1 0 304.390 2.026 40 0 DEABRO COC[C@H]1C(=O)NCC12CC[NH+](Cc1cc(C)ccc1C)CC2 ZINC000096208625 402069758 /nfs/dbraw/zinc/06/97/58/402069758.db2.gz MNMWOCCKEQXMIO-KRWDZBQOSA-N 1 0 316.445 2.278 40 0 DEABRO Cc1n[nH]c(C[C@@H]2OC[C@H]3C[N@H+](Cc4ccccc4)CC[C@H]32)n1 ZINC000096206705 402069872 /nfs/dbraw/zinc/06/98/72/402069872.db2.gz NKRNSUWCKFISII-ZACQAIPSSA-N 1 0 312.417 2.193 40 0 DEABRO c1csc(C[N@@H+]2CCC[C@]3(CCN(c4ncccn4)C3)C2)n1 ZINC000096215740 402070125 /nfs/dbraw/zinc/07/01/25/402070125.db2.gz XOJMVTYHJSXNBB-INIZCTEOSA-N 1 0 315.446 2.426 40 0 DEABRO c1cnc(NC[C@H]2CCC[C@]3(CC[N@H+](CC4CC4)C3)O2)nc1 ZINC000096215617 402070241 /nfs/dbraw/zinc/07/02/41/402070241.db2.gz DHZWTLIXOOJNGT-NVXWUHKLSA-N 1 0 302.422 2.312 40 0 DEABRO COc1cccc(CC(=O)N2CC[C@]3(C2)CCC[N@H+](C)C3)c1 ZINC000096215255 402070276 /nfs/dbraw/zinc/07/02/76/402070276.db2.gz ZJJADAGCTKGAQP-GOSISDBHSA-N 1 0 302.418 2.182 40 0 DEABRO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(C(=O)c1ccco1)C2 ZINC000096209608 402070366 /nfs/dbraw/zinc/07/03/66/402070366.db2.gz CGRKVHXRFRZMBM-CRAIPNDOSA-N 1 0 318.417 2.100 40 0 DEABRO 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ZINC000585269525 357341056 /nfs/dbraw/zinc/34/10/56/357341056.db2.gz XYOMZICLPPKGFE-SFHVURJKSA-N 1 0 305.418 2.380 40 0 DEABRO CCn1cc(C[N@@H+]2CC[C@](O)(COc3cccc(C)c3)C2)cn1 ZINC000585269474 357341189 /nfs/dbraw/zinc/34/11/89/357341189.db2.gz VTCQODCAXCHYCT-GOSISDBHSA-N 1 0 315.417 2.227 40 0 DEABRO COC[C@@]1(CC(N)=O)CCC[N@@H+]1Cc1ccc2ncccc2c1 ZINC000585276585 357342672 /nfs/dbraw/zinc/34/26/72/357342672.db2.gz BMZYQIPYZMWTBJ-SFHVURJKSA-N 1 0 313.401 2.091 40 0 DEABRO CO[C@@H]1CCN(C(=O)/C=C/C[NH+](C)C)C[C@H]1Cc1ccccc1 ZINC000585290546 357344994 /nfs/dbraw/zinc/34/49/94/357344994.db2.gz YBXVRPHRMNBWKV-CVRCPQJVSA-N 1 0 316.445 2.210 40 0 DEABRO O=c1cc(C[C@@H]2COCC[N@H+](CC3CCCCC3)C2)nc[nH]1 ZINC000257300617 203025198 /nfs/dbraw/zinc/02/51/98/203025198.db2.gz RVCAWCRJKCLSBH-HNNXBMFYSA-N 1 0 305.422 2.253 40 0 DEABRO CNc1cc(C)[nH+]c([C@H]2CCN(C(=O)c3cn(C)nc3C)C2)c1 ZINC000257334381 203056838 /nfs/dbraw/zinc/05/68/38/203056838.db2.gz YFQTXEOVGOCNJC-ZDUSSCGKSA-N 1 0 313.405 2.103 40 0 DEABRO c1cc(CN2CC[NH+](C3CCCC3)CC2)nc([C@H]2CCCO2)n1 ZINC000257316220 203041049 /nfs/dbraw/zinc/04/10/49/203041049.db2.gz VEQNXFAZPUSFEE-QGZVFWFLSA-N 1 0 316.449 2.388 40 0 DEABRO C[C@]1(O)C[N@@H+](C2CCOCC2)CC[C@@H]1Oc1cccc(F)c1 ZINC000257326351 203049517 /nfs/dbraw/zinc/04/95/17/203049517.db2.gz WWXDVFUGWORSLG-IRXDYDNUSA-N 1 0 309.381 2.209 40 0 DEABRO CC(C)[NH+]1CCC(c2cncc(N3C[C@H](C)OC3=O)n2)CC1 ZINC000257324562 203049692 /nfs/dbraw/zinc/04/96/92/203049692.db2.gz WPGKDOSOKHJCEO-LBPRGKRZSA-N 1 0 304.394 2.410 40 0 DEABRO [NH3+]Cc1cn(-c2ccccc2C(=O)NCc2ccccc2)cn1 ZINC000257344451 203066239 /nfs/dbraw/zinc/06/62/39/203066239.db2.gz ZXFXTCKKVHBUEC-UHFFFAOYSA-N 1 0 306.369 2.261 40 0 DEABRO CN(C)C(=O)c1sc2nc([C@@]3(C)CCC[NH2+]C3)ccc2c1N ZINC000257344064 203067578 /nfs/dbraw/zinc/06/75/78/203067578.db2.gz ZVQFAHOSZGKLLQ-INIZCTEOSA-N 1 0 318.446 2.221 40 0 DEABRO CC(C)NC(=O)[C@@H]1CCC2(C1)CC[NH+](Cc1cnn(C)c1)CC2 ZINC000096227843 193591492 /nfs/dbraw/zinc/59/14/92/193591492.db2.gz 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C[C@H]1CCC[C@H]1OC[C@H](O)C[NH+]1CCN(c2ccccc2)CC1 ZINC000035092992 401895104 /nfs/dbraw/zinc/89/51/04/401895104.db2.gz AUWAPBFAZFRFCV-QXAKKESOSA-N 1 0 318.461 2.375 40 0 DEABRO CCO[C@@H]1CO[C@@]2(CC[N@H+](Cc3cc(OC)cc(OC)c3)C2)C1 ZINC000096107585 402059195 /nfs/dbraw/zinc/05/91/95/402059195.db2.gz PBDYWGMERLXKOP-ROUUACIJSA-N 1 0 321.417 2.474 40 0 DEABRO Cc1cc(CN2C[C@@H]3C[N@H+](CC4CCCC4)CCO[C@@H]3C2)no1 ZINC000096107999 402059811 /nfs/dbraw/zinc/05/98/11/402059811.db2.gz MROWECNTJQFVEL-FUHWJXTLSA-N 1 0 319.449 2.306 40 0 DEABRO Cc1occc1C(=O)N1C[C@@H]2C[NH+](Cc3cccnc3)C[C@H]2C1 ZINC000096110636 402060295 /nfs/dbraw/zinc/06/02/95/402060295.db2.gz LYCBHSTYXCJRHY-HOTGVXAUSA-N 1 0 311.385 2.187 40 0 DEABRO Fc1ccc2c(c1)nc1n2[C@@H](C[NH2+]Cc2nccs2)COC1 ZINC000096112731 402060430 /nfs/dbraw/zinc/06/04/30/402060430.db2.gz FOKWQIWPKFUFDL-NSHDSACASA-N 1 0 318.377 2.493 40 0 biogenic,in-vitro DEABRO O=C([C@@H]1C[N@H+](Cc2ccsc2)C[C@H]2OCC[C@H]21)N1CCCC1 ZINC000096038862 402047937 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COc1cccc(CC(=O)N2CC[C@@]3(C2)CCC[N@H+](C)C3)c1 ZINC000096215253 402070177 /nfs/dbraw/zinc/07/01/77/402070177.db2.gz ZJJADAGCTKGAQP-SFHVURJKSA-N 1 0 302.418 2.182 40 0 DEABRO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(Cc1nccs1)C2 ZINC000096218449 402071091 /nfs/dbraw/zinc/07/10/91/402071091.db2.gz GBLSBLSUQFFEOE-RDJZCZTQSA-N 1 0 321.490 2.323 40 0 DEABRO C[NH+]1CCC2(C[C@@H](COCC3CC3)N(c3ncccn3)C2)CC1 ZINC000096219240 402071429 /nfs/dbraw/zinc/07/14/29/402071429.db2.gz YOZVCDIQCKBCPG-INIZCTEOSA-N 1 0 316.449 2.194 40 0 DEABRO c1csc(N[C@H]2CO[C@]3(C2)CCC[N@@H+](C2CCOCC2)C3)n1 ZINC000096223367 402071844 /nfs/dbraw/zinc/07/18/44/402071844.db2.gz AIZWZCWIFNPLHE-CJNGLKHVSA-N 1 0 323.462 2.358 40 0 DEABRO CCOc1ncnc2c1CC[N@H+](Cc1c(C)noc1C)CC2 ZINC000096255602 402075453 /nfs/dbraw/zinc/07/54/53/402075453.db2.gz ZUKQJAHRYKZMCX-UHFFFAOYSA-N 1 0 302.378 2.081 40 0 DEABRO Fc1cccc(CN2C[C@@H]3C[N@@H+](C[C@@H]4CCOC4)C[C@@H]3C2)c1 ZINC000096161706 402064174 /nfs/dbraw/zinc/06/41/74/402064174.db2.gz 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CNc1cc(C)[nH+]c([C@@H]2CCN(S(=O)(=O)C3CCCC3)C2)c1 ZINC000257258370 402709696 /nfs/dbraw/zinc/70/96/96/402709696.db2.gz KTOQFHDYEFSLAF-CYBMUJFWSA-N 1 0 323.462 2.493 40 0 DEABRO Cc1cccc(CN2Cc3ccnn3[C@@H](C[NH+]3CCCC3)C2)n1 ZINC000306143978 403950977 /nfs/dbraw/zinc/95/09/77/403950977.db2.gz YSMCIIXUXSCWCT-SFHVURJKSA-N 1 0 311.433 2.239 40 0 DEABRO Clc1cc(NCCC2CC[NH2+]CC2)nc(-c2cccnc2)n1 ZINC000328990935 424902721 /nfs/dbraw/zinc/90/27/21/424902721.db2.gz IQLAZILSGOLKEC-UHFFFAOYSA-N 1 0 317.824 2.994 40 0 DEABRO Cc1ccsc1C(=O)N1Cc2ccnn2[C@@H](CC[NH+](C)C)C1 ZINC000248152509 274821190 /nfs/dbraw/zinc/82/11/90/274821190.db2.gz YALAYJHLBQXJPM-AWEZNQCLSA-N 1 0 318.446 2.402 40 0 DEABRO CC(C)n1cnc([C@H]2C[N@H+](C)C[C@]23CCN(CC2CC2)C3=O)c1 ZINC000306142145 278139067 /nfs/dbraw/zinc/13/90/67/278139067.db2.gz WRFXBDXVSCABTR-CRAIPNDOSA-N 1 0 316.449 2.122 40 0 DEABRO CC[C@@H]([C@H]([NH3+])c1ccc(Br)cc1)S(C)(=O)=O ZINC000096524859 280215103 /nfs/dbraw/zinc/21/51/03/280215103.db2.gz 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Cc1ccc2cc(C[NH2+]C[C@H](O)COC(C)C)c(=O)[nH]c2c1 ZINC000585291675 357345559 /nfs/dbraw/zinc/34/55/59/357345559.db2.gz BAGSFKYBVPPWQC-HNNXBMFYSA-N 1 0 304.390 2.124 40 0 DEABRO Cc1ccccc1[C@H]1C[N@H+](CCC(F)(F)F)[C@H](CO)[C@@H]1O ZINC000585295383 357346275 /nfs/dbraw/zinc/34/62/75/357346275.db2.gz XKEKNLIAZJAVSL-MGPQQGTHSA-N 1 0 303.324 2.068 40 0 DEABRO CC[NH+](CC)CCNC(=O)c1ccc(NC(=O)C2CC2)cc1 ZINC000006274556 181325128 /nfs/dbraw/zinc/32/51/28/181325128.db2.gz CDDFPKSZCNDLFW-UHFFFAOYSA-N 1 0 303.406 2.107 40 0 DEABRO O=c1cc(C[C@H]2COCC[N@H+](CC3CCCCC3)C2)nc[nH]1 ZINC000257300618 203025182 /nfs/dbraw/zinc/02/51/82/203025182.db2.gz RVCAWCRJKCLSBH-OAHLLOKOSA-N 1 0 305.422 2.253 40 0 DEABRO Clc1ccc(OCCc2cc([C@@H]3C[NH2+]CCO3)[nH]n2)cc1 ZINC000257306343 203032920 /nfs/dbraw/zinc/03/29/20/203032920.db2.gz STXBUBRRGVGLDH-HNNXBMFYSA-N 1 0 307.781 2.346 40 0 DEABRO CC(=O)N1CCC([N@H+]2CCC[C@@H]2c2ccnc(N(C)C)c2)CC1 ZINC000257309663 203034193 /nfs/dbraw/zinc/03/41/93/203034193.db2.gz UBWCWEQYSNYWPJ-QGZVFWFLSA-N 1 0 316.449 2.295 40 0 DEABRO Cc1noc(C)c1CCC(=O)N1CCC[C@H]2[NH2+]CCCC[C@@H]21 ZINC000257329330 203053220 /nfs/dbraw/zinc/05/32/20/203053220.db2.gz XJLFTPWZYXNUGG-CVEARBPZSA-N 1 0 305.422 2.357 40 0 DEABRO Cc1ccccc1C[N@@H+]1CC[C@]1(CCCc1cnccn1)C(N)=O ZINC000257315301 203038102 /nfs/dbraw/zinc/03/81/02/203038102.db2.gz VASKTKUJKBLJRU-LJQANCHMSA-N 1 0 324.428 2.238 40 0 DEABRO Cc1nc([C@@H]2CCC[NH2+]2)ncc1C(=O)NCc1ccc(F)cc1 ZINC000257321795 203045902 /nfs/dbraw/zinc/04/59/02/203045902.db2.gz WDGNBKNPCBGZAZ-HNNXBMFYSA-N 1 0 314.364 2.279 40 0 DEABRO CN(C)Cc1cncc([C@H]2CCC[N@@H+]2CC2CCOCC2)n1 ZINC000257322875 203047117 /nfs/dbraw/zinc/04/71/17/203047117.db2.gz WHUCOSHFRLMHSX-QGZVFWFLSA-N 1 0 304.438 2.102 40 0 DEABRO CC(C)CNc1nc2c(cc1C(=O)N1CCCC1)CC[NH2+]CC2 ZINC000096260541 193606440 /nfs/dbraw/zinc/60/64/40/193606440.db2.gz IXWRLVPAEOUZGO-UHFFFAOYSA-N 1 0 316.449 2.074 40 0 DEABRO Cc1nc([C@H]2CC[N@H+](Cc3ccc(F)c(F)c3)C2)cc(=O)[nH]1 ZINC000019285231 182111985 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COc1ccc([C@@H]2[C@@H](C[NH3+])[C@H]2S(=O)(=O)c2ccccc2)cc1 ZINC000242677056 257120565 /nfs/dbraw/zinc/12/05/65/257120565.db2.gz SXJFNECNOKYECL-BRWVUGGUSA-N 1 0 317.410 2.210 40 0 DEABRO CC(=O)N[C@H]1[C@H](c2ccccc2)[N@H+](CC2CC2)CC[C@@]1(C)O ZINC000514289336 257216790 /nfs/dbraw/zinc/21/67/90/257216790.db2.gz IJVDRDAHAWWBJE-OKZBNKHCSA-N 1 0 302.418 2.099 40 0 biogenic,in-vitro DEABRO Cc1c2c(nn1CC(F)F)nc(N1CCC([NH3+])CC1)cc2C ZINC000012398920 134505998 /nfs/dbraw/zinc/50/59/98/134505998.db2.gz BHCNFJWBWSFUKR-UHFFFAOYSA-N 1 0 309.364 2.241 40 0 DEABRO COc1ccc2cc(C(=O)N[C@@H]3CCC[N@H+](C)C3)n(C)c2c1 ZINC000012148350 401780701 /nfs/dbraw/zinc/78/07/01/401780701.db2.gz ATRKBMWKNKHOJZ-CYBMUJFWSA-N 1 0 301.390 2.011 40 0 DEABRO COCC(=O)N1CCC2(CC[C@@H]2[N@H+](C)Cc2ccco2)CC1 ZINC000096051601 402052057 /nfs/dbraw/zinc/05/20/57/402052057.db2.gz YYAGONOAKUADSA-HNNXBMFYSA-N 1 0 306.406 2.129 40 0 DEABRO Cc1nc(CN2C(=O)C[C@@H]3[C@@H]2CC[N@@H+]3Cc2ccoc2)cs1 ZINC000096055631 402052754 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ZINC000096053814 402051937 /nfs/dbraw/zinc/05/19/37/402051937.db2.gz QMXPNEVRFAAXFV-GJZGRUSLSA-N 1 0 313.426 2.347 40 0 DEABRO c1coc(CN2CC[N@@H+]3C[C@H](OCc4cccnc4)C[C@H]3C2)c1 ZINC000096055021 402052704 /nfs/dbraw/zinc/05/27/04/402052704.db2.gz ADWRFSHBGVCHRA-FUHWJXTLSA-N 1 0 313.401 2.150 40 0 DEABRO c1csc(CN2CC[C@H]3[C@H]2CC[N@@H+]3Cc2cccnc2)n1 ZINC000096055836 402052718 /nfs/dbraw/zinc/05/27/18/402052718.db2.gz MROGATFNZWLECE-LSDHHAIUSA-N 1 0 300.431 2.387 40 0 DEABRO COCCn1cc2c(n1)[C@@H](C[NH2+]Cc1ccc(C)s1)OCC2 ZINC000096059698 402054480 /nfs/dbraw/zinc/05/44/80/402054480.db2.gz PDGLOZHKCOTALI-OAHLLOKOSA-N 1 0 321.446 2.303 40 0 DEABRO c1cc(CN2C[C@@H]3C[N@H+](C[C@@H]4CCCO4)CC[C@@H]3C2)ccn1 ZINC000096081434 402057758 /nfs/dbraw/zinc/05/77/58/402057758.db2.gz ZKXRGQZQRGZTND-SQNIBIBYSA-N 1 0 301.434 2.014 40 0 DEABRO c1cc(C[N@H+]2CC[C@]3(C[C@@H](OCC4CCOCC4)CO3)C2)co1 ZINC000096206274 402069308 /nfs/dbraw/zinc/06/93/08/402069308.db2.gz NPWNGLBCVYDWAN-MSOLQXFVSA-N 1 0 321.417 2.456 40 0 DEABRO COC[C@@H]1CCC2(CCN(C(=O)c3cccc(C)n3)CC2)[N@@H+]1C ZINC000096208283 402069733 /nfs/dbraw/zinc/06/97/33/402069733.db2.gz VWYLRUNOIGSZRN-HNNXBMFYSA-N 1 0 317.433 2.105 40 0 DEABRO O=C1N(c2cccnc2)CC[C@]12CCC[N@@H+](C1CCOCC1)C2 ZINC000096224518 402071646 /nfs/dbraw/zinc/07/16/46/402071646.db2.gz FCGVXYMNZHVDFK-SFHVURJKSA-N 1 0 315.417 2.080 40 0 DEABRO Cc1ccc(C[NH+]2C[C@@H]3CN(C(=O)c4cscn4)C[C@H]3C2)o1 ZINC000096245498 402073723 /nfs/dbraw/zinc/07/37/23/402073723.db2.gz XCABEXJAPJJINF-CHWSQXEVSA-N 1 0 317.414 2.249 40 0 DEABRO Cc1cnc(N2CCC3(CC2)COCC[N@@H+](C(C)C)C3)nc1 ZINC000096239839 402074277 /nfs/dbraw/zinc/07/42/77/402074277.db2.gz YBYJMXJRQKMJDV-UHFFFAOYSA-N 1 0 304.438 2.112 40 0 DEABRO Cc1nc(NC(C)C)nc2c1C[N@H+](CC1CCOCC1)CC2 ZINC000096253918 402074845 /nfs/dbraw/zinc/07/48/45/402074845.db2.gz BYASCPBSOMQYCB-UHFFFAOYSA-N 1 0 304.438 2.390 40 0 DEABRO CCOC(=O)[C@H]1C[C@@]2(c3cccc(C)c3NC2=O)[N@@H+]2CCC[C@H]12 ZINC000055243659 402078413 /nfs/dbraw/zinc/07/84/13/402078413.db2.gz DZKLHXXOODGCMW-WRSAYESZSA-N 1 0 314.385 2.190 40 0 DEABRO COc1ccc(S[C@@H](C)C(=O)NC2CC[NH+](C)CC2)cc1 ZINC000054148159 402063255 /nfs/dbraw/zinc/06/32/55/402063255.db2.gz RWYUNSMVKYSZII-LBPRGKRZSA-N 1 0 308.447 2.386 40 0 DEABRO Cc1ccc(N2CC[C@@H]3[C@@H]2CC[N@@H+]3Cc2cccc(C)n2)nn1 ZINC000096184860 402065325 /nfs/dbraw/zinc/06/53/25/402065325.db2.gz CAHDQUXPOWSWQU-SJORKVTESA-N 1 0 309.417 2.342 40 0 DEABRO c1cnc(N2CC[C@@H]3[C@@H]2CC[N@H+]3Cc2ccc3c(c2)OCO3)nc1 ZINC000096184803 402065419 /nfs/dbraw/zinc/06/54/19/402065419.db2.gz YOYFXKDQEPNCCL-CABCVRRESA-N 1 0 324.384 2.059 40 0 DEABRO O=C(Cc1ccc(F)cc1)N1CC[C@H]2[C@H]1CC[N@@H+]2CC1CC1 ZINC000096184421 402065528 /nfs/dbraw/zinc/06/55/28/402065528.db2.gz URATZVFTBRYDPG-DLBZAZTESA-N 1 0 302.393 2.453 40 0 DEABRO c1cc(C[N@@H+]2C[C@H](Oc3ccccn3)[C@H]3OCCC[C@H]32)co1 ZINC000096187180 402066000 /nfs/dbraw/zinc/06/60/00/402066000.db2.gz SOXWCSIHZLJIQM-VYDXJSESSA-N 1 0 300.358 2.485 40 0 DEABRO Cn1cc(C[C@H]2[C@H]([NH+](C)C)CCN2Cc2cccc(F)c2)cn1 ZINC000096200923 402068001 /nfs/dbraw/zinc/06/80/01/402068001.db2.gz LIZZNAZYSUZLCK-MSOLQXFVSA-N 1 0 316.424 2.306 40 0 DEABRO C[C@@H]1N(C)C(=O)COC12CC[NH+](Cc1cccc(F)c1)CC2 ZINC000096201525 402068942 /nfs/dbraw/zinc/06/89/42/402068942.db2.gz VNGCJWYNZNFQFC-ZDUSSCGKSA-N 1 0 306.381 2.037 40 0 DEABRO C[N@H+](CCO)[C@H]1CC[C@H](NC(=O)OCc2ccccc2)CC1 ZINC000100178150 402139899 /nfs/dbraw/zinc/13/98/99/402139899.db2.gz QNKSAUBJVRVBBX-IYBDPMFKSA-N 1 0 306.406 2.148 40 0 DEABRO CC(C)[N@H+](C)C[C@H]1CO[C@@]2(C1)COCCN(Cc1ccoc1)C2 ZINC000107795330 402240782 /nfs/dbraw/zinc/24/07/82/402240782.db2.gz LHKOVAGIXXAADK-ZWKOTPCHSA-N 1 0 322.449 2.227 40 0 DEABRO Cc1ncc(C[N@@H+]2CC[C@]3(CCC[C@@H]3C(=O)N3CCCC3)C2)[nH]1 ZINC000108532429 402256696 /nfs/dbraw/zinc/25/66/96/402256696.db2.gz GXJHQNWHKRKBQD-SJLPKXTDSA-N 1 0 316.449 2.333 40 0 DEABRO N[C@H](C(=O)OCC1c2ccccc2-c2ccccc21)[C@@H]1CCC[NH2+]1 ZINC000071186602 402270681 /nfs/dbraw/zinc/27/06/81/402270681.db2.gz ZURJXUMOPDWDAQ-OALUTQOASA-N 1 0 322.408 2.421 40 0 DEABRO COc1ccc2c3c1O[C@H]1C(OC)=CC=C4[C@H](C2)[N@@H+](C)CC[C@]341 ZINC000071787460 402277479 /nfs/dbraw/zinc/27/74/79/402277479.db2.gz FQXXSQDCDRQNQE-FASAQXTFSA-N 1 0 311.381 2.425 40 0 biogenic,in-vitro DEABRO [NH3+]C[C@@H]1CCN(c2ccc(Oc3ccccc3)cc2)S1(=O)=O ZINC000222545159 402307789 /nfs/dbraw/zinc/30/77/89/402307789.db2.gz IMBWCCNIBIKTRS-INIZCTEOSA-N 1 0 318.398 2.346 40 0 DEABRO Cc1ccc(CCC(=O)NCCCN2CCOCC2)cc1C ZINC000224806589 402314707 /nfs/dbraw/zinc/31/47/07/402314707.db2.gz HXALMHMHHDNCOT-UHFFFAOYSA-N 1 0 304.434 2.075 40 0 DEABRO CC(C)[N@@H+]1CC[C@]2(c3ccccc3)CCN(S(C)(=O)=O)[C@H]2C1 ZINC000248148666 402583387 /nfs/dbraw/zinc/58/33/87/402583387.db2.gz FVRRYZJZLFNMDK-DLBZAZTESA-N 1 0 322.474 2.072 40 0 DEABRO COC[C@@H]1CC[N@H+](C)C2(CN(C(=O)c3ccc(C)c(C)c3)C2)C1 ZINC000248151368 402584391 /nfs/dbraw/zinc/58/43/91/402584391.db2.gz UFPHUJVINAKFEE-MRXNPFEDSA-N 1 0 316.445 2.486 40 0 DEABRO C[N@@H+]1CCCC[C@]1(C)C(=O)N1CCC(C)(c2cc[nH]n2)CC1 ZINC000257240420 402707624 /nfs/dbraw/zinc/70/76/24/402707624.db2.gz HTJWMAKCVXPISU-QGZVFWFLSA-N 1 0 304.438 2.164 40 0 DEABRO O=C(COc1ccccc1)N1CCCC[C@H]1C1CC[NH2+]CC1 ZINC000257247592 402708019 /nfs/dbraw/zinc/70/80/19/402708019.db2.gz IZPQDYZRHFANFI-KRWDZBQOSA-N 1 0 302.418 2.446 40 0 DEABRO Nc1cc(CC[C@H]2CN(C(=O)c3cccs3)CCO2)cc[nH+]1 ZINC000257264156 402710232 /nfs/dbraw/zinc/71/02/32/402710232.db2.gz LTDMEGCJMDYISZ-ZDUSSCGKSA-N 1 0 317.414 2.199 40 0 DEABRO O[C@H]1C[N@H+](CCCOc2ccccc2F)CC[C@@]12CCCO2 ZINC000257268031 402710493 /nfs/dbraw/zinc/71/04/93/402710493.db2.gz MJYPXFWOKJJIJT-IRXDYDNUSA-N 1 0 309.381 2.210 40 0 DEABRO CC(C)Oc1ccc([C@@H]2C[NH2+]CCN2Cc2c[nH]cn2)cc1 ZINC000257204545 402702391 /nfs/dbraw/zinc/70/23/91/402702391.db2.gz AVCKOSBADKTXKY-KRWDZBQOSA-N 1 0 300.406 2.343 40 0 DEABRO COc1ccc(OCC(=O)N2CCC[C@]3(C)[NH2+]CCC[C@@H]23)cc1 ZINC000257207803 402703228 /nfs/dbraw/zinc/70/32/28/402703228.db2.gz BJIHJBQMRMHYME-AEFFLSMTSA-N 1 0 318.417 2.207 40 0 DEABRO OCCCNc1cc(N2CCc3cc(Cl)ccc3C2)ncn1 ZINC000329029166 404206963 /nfs/dbraw/zinc/20/69/63/404206963.db2.gz PXSXNYXHQVHWOG-UHFFFAOYSA-N 1 0 318.808 2.487 40 0 DEABRO OCCN1CC2(CC[NH+](Cc3cccnc3)CC2)c2ccccc21 ZINC000096241326 275046765 /nfs/dbraw/zinc/04/67/65/275046765.db2.gz OEQWKTYZVVDLED-UHFFFAOYSA-N 1 0 323.440 2.428 40 0 DEABRO Cc1cnc(N2CCC3(C[C@H]([NH+]4CCCC4)CO3)CC2)nc1 ZINC000096158645 279014684 /nfs/dbraw/zinc/01/46/84/279014684.db2.gz DKAKZNWSVFFPMY-HNNXBMFYSA-N 1 0 302.422 2.009 40 0 DEABRO O=C(c1noc2c1CCCC2)N1CC[NH2+]C[C@@H]1c1ccccc1 ZINC000257301528 280245335 /nfs/dbraw/zinc/24/53/35/280245335.db2.gz RYWBXZRCQDAFGT-OAHLLOKOSA-N 1 0 311.385 2.340 40 0 DEABRO Cc1ccc(S(=O)(=O)[C@@H]2[C@@H]([NH3+])[C@@H]2c2cccc(F)c2)cc1 ZINC000218571314 340496477 /nfs/dbraw/zinc/49/64/77/340496477.db2.gz NLISCQDDKOTVIM-JYJNAYRXSA-N 1 0 305.374 2.401 40 0 DEABRO c1csc(C[NH2+][C@H]2CCc3nc(N4CCCC4)ncc3C2)n1 ZINC000306137995 534521926 /nfs/dbraw/zinc/52/19/26/534521926.db2.gz RLUNHIYPAGBSMH-ZDUSSCGKSA-N 1 0 315.446 2.180 40 0 DEABRO COc1cc(-c2nnc([C@@H]([NH3+])C(C)C)[nH]2)cc(OC)c1OC ZINC000095534708 185379232 /nfs/dbraw/zinc/37/92/32/185379232.db2.gz XTJOIVYRTHGUNU-LBPRGKRZSA-N 1 0 306.366 2.153 40 0 DEABRO CC(C)N(C[C@H]1CCN(CC[NH3+])C1)C(=O)OCc1ccccc1 ZINC000079411668 185169961 /nfs/dbraw/zinc/16/99/61/185169961.db2.gz KBLWOXYIKWOKFT-KRWDZBQOSA-N 1 0 319.449 2.314 40 0 DEABRO CCN(C(=O)[C@H](C)[NH3+])[C@@H]1CCCC[C@H]1NC(=O)OC(C)(C)C ZINC000079391273 185168251 /nfs/dbraw/zinc/16/82/51/185168251.db2.gz DOVPZTAIJAVTKW-YNEHKIRRSA-N 1 0 313.442 2.018 40 0 DEABRO Cc1nccn1CCC(=O)N1CC[C@H]2[C@H]1CCCCC[N@H+]2C ZINC000019712169 354045287 /nfs/dbraw/zinc/04/52/87/354045287.db2.gz OCFBRCQMQMFULY-JKSUJKDBSA-N 1 0 304.438 2.057 40 0 DEABRO Cc1cccc(C[N@H+]2CCOC[C@]3(CC(=O)N(C(C)C)C3)C2)c1 ZINC000585104866 357334301 /nfs/dbraw/zinc/33/43/01/357334301.db2.gz VZOPDRGJOYRNNI-LJQANCHMSA-N 1 0 316.445 2.454 40 0 DEABRO Cc1cccc(OC[C@@]2(O)CC[N@H+](CC3CCOCC3)C2)c1 ZINC000585268862 357339792 /nfs/dbraw/zinc/33/97/92/357339792.db2.gz BTUOSKXCSCULFQ-GOSISDBHSA-N 1 0 305.418 2.237 40 0 DEABRO CCn1cc(C[N@@H+]2CC[C@@](O)(COc3cccc(C)c3)C2)cn1 ZINC000585269475 357340590 /nfs/dbraw/zinc/34/05/90/357340590.db2.gz VTCQODCAXCHYCT-SFHVURJKSA-N 1 0 315.417 2.227 40 0 DEABRO CC(=O)N[C@H]1CCC[N@H+](Cc2cnc[nH]2)[C@H]1Cc1ccccc1 ZINC000585275116 357342331 /nfs/dbraw/zinc/34/23/31/357342331.db2.gz XDWLGRJWDVFWCI-ROUUACIJSA-N 1 0 312.417 2.122 40 0 DEABRO Cc1cccc(C[N@@H+]2CC[C@H]3[C@H]2CC(=O)N3Cc2ccncc2)n1 ZINC000247865191 202695973 /nfs/dbraw/zinc/69/59/73/202695973.db2.gz ILKTXEXVGGOCBI-ZWKOTPCHSA-N 1 0 322.412 2.160 40 0 DEABRO COc1cccc(C(=O)NCCC[NH+]2CCCCC2)c1OC ZINC000225047262 201683676 /nfs/dbraw/zinc/68/36/76/201683676.db2.gz IWJKRIBOPKUEOK-UHFFFAOYSA-N 1 0 306.406 2.310 40 0 DEABRO OCCOc1cccc(C[N@@H+]2CCC[C@@H](c3ccncn3)C2)c1 ZINC000257213625 202951042 /nfs/dbraw/zinc/95/10/42/202951042.db2.gz CIJSARDJTSIAIL-MRXNPFEDSA-N 1 0 313.401 2.227 40 0 DEABRO Cc1csc(Nc2cc([C@@H]3CC[N@H+](CCO)C3)nc(C)n2)n1 ZINC000257310053 203034268 /nfs/dbraw/zinc/03/42/68/203034268.db2.gz UDMUIPIMGTVSCV-GFCCVEGCSA-N 1 0 319.434 2.075 40 0 DEABRO Cc1ccccc1C(=O)N[C@@H]1CCC[C@@H]([NH+]2CCCC2)[C@@H]1O ZINC000257292519 203017361 /nfs/dbraw/zinc/01/73/61/203017361.db2.gz QLXNDFOKOYOHEY-BRWVUGGUSA-N 1 0 302.418 2.103 40 0 DEABRO CN(C(=O)/C=C/c1ccccc1)[C@@H]1CC[C@@H]([NH+]2CCCC2)[C@@H]1O ZINC000257293105 203018580 /nfs/dbraw/zinc/01/85/80/203018580.db2.gz QOCWDTLTWFUVKN-BFQPPVISSA-N 1 0 314.429 2.146 40 0 DEABRO CCCCc1cc(C(=O)N2C[C@@H]3C[C@@]4(C)[C@H](CCC[C@@H]24)[NH2+]3)[nH]n1 ZINC000257341522 203062944 /nfs/dbraw/zinc/06/29/44/203062944.db2.gz ZKSCEOUAJUDJAQ-SCNOPHJPSA-N 1 0 316.449 2.497 40 0 DEABRO CCc1cnc(N2CC3(C2)CC[N@H+](Cc2cccnc2)C3)nc1 ZINC000096202498 193580050 /nfs/dbraw/zinc/58/00/50/193580050.db2.gz GOPOKXRVDVEMSB-UHFFFAOYSA-N 1 0 309.417 2.146 40 0 DEABRO COc1cccc(C[N@@H+]2CCC[C@@H](c3nc(C)cc(=O)[nH]3)C2)c1 ZINC000019117970 182105285 /nfs/dbraw/zinc/10/52/85/182105285.db2.gz OODZUCYXAKOQQK-OAHLLOKOSA-N 1 0 313.401 2.467 40 0 DEABRO CN1CC[NH+](C[C@H](O)COC2CCC(C(C)(C)C)CC2)CC1 ZINC000019363957 182118385 /nfs/dbraw/zinc/11/83/85/182118385.db2.gz PUZORSIIYMWEKZ-CGZBRXJRSA-N 1 0 312.498 2.216 40 0 DEABRO c1ccc(-c2cc(C[NH2+]C[C@@H]3CCCO3)c3nnnn3c2)cc1 ZINC000019374021 182120501 /nfs/dbraw/zinc/12/05/01/182120501.db2.gz LMNKUFJXBLFTIZ-INIZCTEOSA-N 1 0 309.373 2.060 40 0 DEABRO CC(C)CC(=O)N1CCc2nc([C@@H]3CCCC[NH2+]3)ncc2C1 ZINC000019446546 182123728 /nfs/dbraw/zinc/12/37/28/182123728.db2.gz ZUUOGCIIPJAYLL-HNNXBMFYSA-N 1 0 302.422 2.222 40 0 DEABRO O=C1C[C@@H]([NH2+]CCc2cccs2)C(=O)N1c1ccc(F)cc1 ZINC000020479815 182222228 /nfs/dbraw/zinc/22/22/28/182222228.db2.gz FSNYZAJDMAPNFT-CQSZACIVSA-N 1 0 318.373 2.351 40 0 DEABRO CCOC(=O)c1sc(N2CC[NH2+]CC2)nc1-c1ccccc1 ZINC000021986850 182301691 /nfs/dbraw/zinc/30/16/91/182301691.db2.gz CTCIRCSKMRHDGN-UHFFFAOYSA-N 1 0 317.414 2.396 40 0 DEABRO O=C1CC2(CC[NH+](CCO)CC2)c2ccccc2N1CC1CC1 ZINC000096243955 296314714 /nfs/dbraw/zinc/31/47/14/296314714.db2.gz YEQAJFXKWRNAEP-UHFFFAOYSA-N 1 0 314.429 2.159 40 0 DEABRO O=C1NC2(C[C@@H]1c1ccncc1)CC[NH+](Cc1ccoc1)CC2 ZINC000096199536 284873678 /nfs/dbraw/zinc/87/36/78/284873678.db2.gz OEMYDUDZRPTYTR-MRXNPFEDSA-N 1 0 311.385 2.313 40 0 DEABRO COCC[NH+]1CCC2(C[C@@H](N(C)c3ccccc3)CO2)CC1 ZINC000257310415 285014122 /nfs/dbraw/zinc/01/41/22/285014122.db2.gz UEZOOMGTNQSXRN-QGZVFWFLSA-N 1 0 304.434 2.393 40 0 DEABRO CC(=O)N1CCN(c2ccc([C@@H]([NH3+])c3ccccc3)c(C)n2)CC1 ZINC000072224787 257123760 /nfs/dbraw/zinc/12/37/60/257123760.db2.gz FBDOULYTEWWLEW-IBGZPJMESA-N 1 0 324.428 2.107 40 0 DEABRO CC(=O)N1CCCC[C@H]1c1cnc(N2CCOCC2)c(C)c1 ZINC000072219374 257123916 /nfs/dbraw/zinc/12/39/16/257123916.db2.gz JXYHCAYYVAIWQO-INIZCTEOSA-N 1 0 303.406 2.300 40 0 DEABRO O=C(NCC1CC[NH+](CC2CCCCC2)CC1)c1cnccn1 ZINC000012115076 401779373 /nfs/dbraw/zinc/77/93/73/401779373.db2.gz MZULZYJXPQFTDJ-UHFFFAOYSA-N 1 0 316.449 2.499 40 0 DEABRO C[C@@]1(C(=O)NC2CC[NH+](Cc3cccc(F)c3)CC2)CCCO1 ZINC000012201729 401781775 /nfs/dbraw/zinc/78/17/75/401781775.db2.gz XMOGRJWTMKFGEX-SFHVURJKSA-N 1 0 320.408 2.475 40 0 DEABRO C[N@@H+]1CCC[C@H](C(=O)N2CCN(/C=C/c3ccccc3)CC2)C1 ZINC000078582339 401856712 /nfs/dbraw/zinc/85/67/12/401856712.db2.gz DAZCKQRBAGFRMD-CKDFRHGISA-N 1 0 313.445 2.143 40 0 DEABRO O=C1N(Cc2ccc(F)cc2)C[C@H]2C[N@@H+](C3CCC3)CCN12 ZINC000085436184 401916192 /nfs/dbraw/zinc/91/61/92/401916192.db2.gz HWYNHTJWEQUUEI-MRXNPFEDSA-N 1 0 303.381 2.300 40 0 biogenic,in-vitro DEABRO C[N@H+]1Cc2ncn(CC3CC3)c2[C@@H](COCC2CCOCC2)C1 ZINC000096045169 402049426 /nfs/dbraw/zinc/04/94/26/402049426.db2.gz HVPRNOWWUJVPDP-MRXNPFEDSA-N 1 0 319.449 2.265 40 0 DEABRO O=C(NCc1ccco1)[C@@H]1CCO[C@@H]2CC[N@H+](CC3CC3)C[C@@H]21 ZINC000096043487 402049609 /nfs/dbraw/zinc/04/96/09/402049609.db2.gz ILVDYYRYHUALGY-BRWVUGGUSA-N 1 0 318.417 2.033 40 0 DEABRO c1cc(CN2CC[N@@H+]3C[C@H](OCc4cccnc4)C[C@@H]3C2)co1 ZINC000096055027 402052453 /nfs/dbraw/zinc/05/24/53/402052453.db2.gz NJHFQNBCGMPLHH-QZTJIDSGSA-N 1 0 313.401 2.150 40 0 DEABRO O=C1CC[C@@H]2[C@@H](CC[N@@H+]2Cc2ccccn2)N1Cc1ccncc1 ZINC000096056601 402053008 /nfs/dbraw/zinc/05/30/08/402053008.db2.gz LXTQXVIVGVXUMX-QZTJIDSGSA-N 1 0 322.412 2.242 40 0 DEABRO CN(C)C(=O)[C@H]1CC[C@@H]2[C@@H](CC[N@@H+]2Cc2ccc(F)cc2)O1 ZINC000096057471 402053424 /nfs/dbraw/zinc/05/34/24/402053424.db2.gz RSOCSDMNHYTXDJ-BZUAXINKSA-N 1 0 306.381 2.036 40 0 DEABRO CN(C)C(=O)[C@H]1CCC2(CC[NH+](Cc3ccsc3)CC2)O1 ZINC000096061125 402054736 /nfs/dbraw/zinc/05/47/36/402054736.db2.gz OKKXLPVREXMJCF-CQSZACIVSA-N 1 0 308.447 2.350 40 0 DEABRO c1cc(CO[C@@H]2C[N@@H+](C3CCOCC3)[C@@H]3CCCO[C@H]23)ccn1 ZINC000096065952 402055354 /nfs/dbraw/zinc/05/53/54/402055354.db2.gz MHUMEXKCLKGRJH-KURKYZTESA-N 1 0 318.417 2.009 40 0 DEABRO c1ccc(N2CC[C@]3(C2)COCC[N@@H+](Cc2ccncc2)C3)nc1 ZINC000096062478 402055393 /nfs/dbraw/zinc/05/53/93/402055393.db2.gz QXWAHKREBZECCC-IBGZPJMESA-N 1 0 324.428 2.206 40 0 DEABRO O=C(NCc1ccco1)[C@H]1CO[C@H]2CC[N@H+](CC3CC3)C[C@H]2C1 ZINC000096066026 402055870 /nfs/dbraw/zinc/05/58/70/402055870.db2.gz HFJJVNLMSJSAQO-INMHGKMJSA-N 1 0 318.417 2.033 40 0 DEABRO COCC[N@@H+]1CC[C@H]2CN(C(=O)c3ccccc3C)C[C@H]2C1 ZINC000096081405 402057826 /nfs/dbraw/zinc/05/78/26/402057826.db2.gz KNQPRNLPOQIEAO-JKSUJKDBSA-N 1 0 302.418 2.035 40 0 DEABRO O=C1CC[C@@]2(CCC[N@@H+](CCO)CC2)N1Cc1ccccc1 ZINC000096218167 402071185 /nfs/dbraw/zinc/07/11/85/402071185.db2.gz AMPBUOSDXBFTJS-GOSISDBHSA-N 1 0 302.418 2.026 40 0 DEABRO O=C(C[C@@H]1CO[C@@H]2C[N@H+](CC3CCCC3)C[C@H]12)NCC1CC1 ZINC000096219552 402071374 /nfs/dbraw/zinc/07/13/74/402071374.db2.gz MMOJTCRWUYCVRK-BRWVUGGUSA-N 1 0 306.450 2.040 40 0 DEABRO COCCN1CC[C@]2(CCC[N@H+](Cc3ccc(F)cc3)C2)C1=O ZINC000096224038 402072128 /nfs/dbraw/zinc/07/21/28/402072128.db2.gz UXOIHGHIALBEED-SFHVURJKSA-N 1 0 320.408 2.287 40 0 DEABRO C[NH+](C)C[C@H]1CO[C@@]2(C1)CCCN(C(=O)Cc1ccccc1)C2 ZINC000096228336 402072708 /nfs/dbraw/zinc/07/27/08/402072708.db2.gz PSICWPXMWHJSOJ-PKOBYXMFSA-N 1 0 316.445 2.188 40 0 DEABRO CC(C)C[N@@H+]1CC[C@]2(C1)COCc1cnc(NCC3CC3)nc12 ZINC000096244109 402074022 /nfs/dbraw/zinc/07/40/22/402074022.db2.gz RZEYEOOOVAKSOF-SFHVURJKSA-N 1 0 316.449 2.428 40 0 DEABRO O=C(c1cccnc1)N1CC2(C1)CC[N@H+](Cc1ccsc1)C2 ZINC000096202766 402068964 /nfs/dbraw/zinc/06/89/64/402068964.db2.gz GIMOUOBLXZFHSM-UHFFFAOYSA-N 1 0 313.426 2.491 40 0 DEABRO c1ccc(CO[C@H]2CCOC3(C[NH+](C4CCOCC4)C3)C2)nc1 ZINC000247971113 402579580 /nfs/dbraw/zinc/57/95/80/402579580.db2.gz UNBZTELRKKZAPE-KRWDZBQOSA-N 1 0 318.417 2.011 40 0 DEABRO CNc1cnc(C[C@H]2CCC[N@H+](Cc3[nH]cnc3C)CC2)cn1 ZINC000257246421 402708044 /nfs/dbraw/zinc/70/80/44/402708044.db2.gz IUBHYRMUBJCROS-AWEZNQCLSA-N 1 0 314.437 2.395 40 0 DEABRO Cc1[nH+]cc2cncc([C@H]3CCCN(C(=O)c4ccncc4)C3)n12 ZINC000257263745 402710306 /nfs/dbraw/zinc/71/03/06/402710306.db2.gz LRFYWRRIMZPLLZ-HNNXBMFYSA-N 1 0 321.384 2.453 40 0 DEABRO c1ccn(C[C@@H]2CC[C@@H]3[C@H]2OCC[N@@H+]3CC2CCOCC2)c1 ZINC000253479038 402667519 /nfs/dbraw/zinc/66/75/19/402667519.db2.gz OIKWPODUUSYQHE-KSZLIROESA-N 1 0 304.434 2.394 40 0 DEABRO C[C@H]1CCCN([C@H]2CC(=O)N(c3ccc(F)c(F)c3)C2=O)C1 ZINC000253575451 402669021 /nfs/dbraw/zinc/66/90/21/402669021.db2.gz UPPUPRYAOMKZAB-HZMBPMFUSA-N 1 0 308.328 2.329 40 0 DEABRO Cc1ccc(Nc2cc(C3CC3)nc(NCCO)n2)c(Cl)c1 ZINC000328964912 404184240 /nfs/dbraw/zinc/18/42/40/404184240.db2.gz BYCOMTIOGPOXJF-UHFFFAOYSA-N 1 0 318.808 2.307 40 0 DEABRO O=C(C1CCC1)N1Cc2ccnn2[C@@H](CC[NH+]2CCCCC2)C1 ZINC000585095798 405866857 /nfs/dbraw/zinc/86/68/57/405866857.db2.gz LRESHNDAPSPVHF-KRWDZBQOSA-N 1 0 316.449 2.443 40 0 DEABRO Cn1cc(C[NH+]2CCC3(CN(c4ccccc4)C3=O)CC2)cn1 ZINC000096202913 274891372 /nfs/dbraw/zinc/89/13/72/274891372.db2.gz XVTJPYJXKMNZKP-UHFFFAOYSA-N 1 0 310.401 2.049 40 0 DEABRO C[N@@H+]1CCCN(C(=O)N[C@H]2CCCOc3c(F)cccc32)CC1 ZINC000272516308 277047946 /nfs/dbraw/zinc/04/79/46/277047946.db2.gz NCVVFLFICXEPCH-HNNXBMFYSA-N 1 0 321.396 2.387 40 0 DEABRO CN(C)c1cc([C@H]2CCCN2C(=O)CCC[NH+](C)C)ccn1 ZINC000257223275 289108391 /nfs/dbraw/zinc/10/83/91/289108391.db2.gz DWPSKEIMRWFFNN-OAHLLOKOSA-N 1 0 304.438 2.153 40 0 DEABRO O=C(OCc1ccccc1)N(C[C@H]1CC[N@@H+](CCO)C1)C1CC1 ZINC000079411257 185169952 /nfs/dbraw/zinc/16/99/52/185169952.db2.gz SAYFEELLMPJZDY-INIZCTEOSA-N 1 0 318.417 2.102 40 0 DEABRO O=C(OCc1ccccc1)N1CCC[C@@H]([N@H+](CCO)C2CC2)C1 ZINC000079391744 185168415 /nfs/dbraw/zinc/16/84/15/185168415.db2.gz OISJMILIJKPZRF-QGZVFWFLSA-N 1 0 318.417 2.244 40 0 DEABRO O=C([O-])C[N@H+](C[C@@H]1CCC[NH+](Cc2ccccc2)C1)C1CC1 ZINC000079393466 185168928 /nfs/dbraw/zinc/16/89/28/185168928.db2.gz ODVKTMIVOCUGLY-MRXNPFEDSA-N 1 0 302.418 2.448 40 0 DEABRO C[N@@H+]1CCC[C@@H](C(=O)N2CCN(c3cccc(Cl)c3)CC2)C1 ZINC000082315036 185175395 /nfs/dbraw/zinc/17/53/95/185175395.db2.gz UTKAGLPXHIMREX-CQSZACIVSA-N 1 0 321.852 2.330 40 0 DEABRO c1cn(-c2cncc(C3CC[NH+](Cc4ccccn4)CC3)n2)cn1 ZINC000072355426 191128765 /nfs/dbraw/zinc/12/87/65/191128765.db2.gz ZRVMSLZYTWIQGQ-UHFFFAOYSA-N 1 0 320.400 2.437 40 0 DEABRO Cc1ccccc1CN1CCn2c(nnc2[C@@H]2CCCC[NH2+]2)C1 ZINC000072374064 191138970 /nfs/dbraw/zinc/13/89/70/191138970.db2.gz DVZJURAHOFMVKD-INIZCTEOSA-N 1 0 311.433 2.417 40 0 DEABRO C[NH2+]CC(=O)N1CCC[C@@H]1c1cccc(Nc2nccs2)n1 ZINC000072383001 191142085 /nfs/dbraw/zinc/14/20/85/191142085.db2.gz UQYBTSWOEJUNID-GFCCVEGCSA-N 1 0 317.418 2.165 40 0 DEABRO CC1CCN(C(=O)c2cnc(C[C@H]3CCC[N@H+](C)C3)cn2)CC1 ZINC000072387200 191144708 /nfs/dbraw/zinc/14/47/08/191144708.db2.gz PZWJUJPTMUHPAT-OAHLLOKOSA-N 1 0 316.449 2.233 40 0 DEABRO CC(C)CNC(=O)c1ccccc1NC(=O)C1CC[NH+](C)CC1 ZINC000072849867 191237571 /nfs/dbraw/zinc/23/75/71/191237571.db2.gz YGZXGSRLBDDYTM-UHFFFAOYSA-N 1 0 317.433 2.353 40 0 DEABRO COC(=O)c1ccc(OC[C@@H](O)C[NH+]2C[C@H](C)C[C@@H](C)C2)cc1 ZINC000004279626 181092378 /nfs/dbraw/zinc/09/23/78/181092378.db2.gz ZXBYFFLADVVWFF-FMKPAKJESA-N 1 0 321.417 2.191 40 0 DEABRO Cc1cccc(N2CCN(C(=O)[C@@H]3CCC[N@@H+](C)C3)CC2)c1C ZINC000078578556 191888801 /nfs/dbraw/zinc/88/88/01/191888801.db2.gz MHHBPQDADNRPRZ-QGZVFWFLSA-N 1 0 315.461 2.294 40 0 DEABRO CC(C)c1ccc(N2C(=N)S[C@@H]3CS(=O)(=O)C[C@H]32)cc1 ZINC000138909000 355873955 /nfs/dbraw/zinc/87/39/55/355873955.db2.gz FTNFZRYMIMXYDD-CHWSQXEVSA-N 1 0 310.444 2.464 40 0 DEABRO CC[NH+](CC)C[C@@H]1CN(C(=O)c2occc2C)Cc2ccnn21 ZINC000575403758 356750619 /nfs/dbraw/zinc/75/06/19/356750619.db2.gz JOBWGJSFXLTCSA-OAHLLOKOSA-N 1 0 316.405 2.323 40 0 DEABRO C[N@@H+]1CC[C@]12CCCN(C(=O)c1ccnc(C(F)(F)F)c1)C2 ZINC000585102063 357332706 /nfs/dbraw/zinc/33/27/06/357332706.db2.gz PSJQKQBOQHNPNS-AWEZNQCLSA-N 1 0 313.323 2.411 40 0 DEABRO Cc1ccccc1OC[C@@]1(O)CC[N@H+](CC2CCOCC2)C1 ZINC000585273334 357341113 /nfs/dbraw/zinc/34/11/13/357341113.db2.gz BYAZHYGLQLCJMZ-GOSISDBHSA-N 1 0 305.418 2.237 40 0 DEABRO OCC[N@@H+](Cc1ccccc1)C[C@@H](O)COc1ccccc1F ZINC000006529471 181351139 /nfs/dbraw/zinc/35/11/39/181351139.db2.gz ZEZLDTKVELRIGV-MRXNPFEDSA-N 1 0 319.376 2.060 40 0 DEABRO O=C([C@@H]1COC[C@H]2C[N@@H+](C3CCCC3)C[C@H]21)N1CCC(F)CC1 ZINC000096038634 296058652 /nfs/dbraw/zinc/05/86/52/296058652.db2.gz AALJWCHVSQNEQH-KBRIMQKVSA-N 1 0 324.440 2.084 40 0 DEABRO CC(=O)NCc1cccc([C@@H]2CCC[N@@H+]2Cc2cccnc2)n1 ZINC000257296758 203021338 /nfs/dbraw/zinc/02/13/38/203021338.db2.gz REGVCFGCGHDTRA-SFHVURJKSA-N 1 0 310.401 2.450 40 0 DEABRO Cc1nc(CN2CCO[C@@H](CCc3cc[nH+]c(N)c3)C2)cs1 ZINC000257316688 203040022 /nfs/dbraw/zinc/04/00/22/203040022.db2.gz VGOOKAXCLZFLIF-HNNXBMFYSA-N 1 0 318.446 2.262 40 0 DEABRO c1cncc(C[NH+]2CCC3(CO[C@@H](Cc4cnccn4)C3)CC2)c1 ZINC000257340881 203061759 /nfs/dbraw/zinc/06/17/59/203061759.db2.gz ZHXJESYVNVGXKS-SFHVURJKSA-N 1 0 324.428 2.485 40 0 DEABRO CCN(C(=O)[C@H](C)[NH3+])[C@H]1CCCC[C@H]1NC(=O)OC(C)(C)C ZINC000079391274 284227478 /nfs/dbraw/zinc/22/74/78/284227478.db2.gz DOVPZTAIJAVTKW-XQQFMLRXSA-N 1 0 313.442 2.018 40 0 DEABRO Cc1ccnn1C[C@H](C)C(=O)N[C@@H](C)C[NH+]1CCCCCC1 ZINC000019238333 182111225 /nfs/dbraw/zinc/11/12/25/182111225.db2.gz HBOOJLVCAFVFDF-GJZGRUSLSA-N 1 0 306.454 2.208 40 0 DEABRO Cc1ncncc1C(=O)N1CCC([C@@H]2CCCC[N@H+]2C)CC1 ZINC000019746993 182141937 /nfs/dbraw/zinc/14/19/37/182141937.db2.gz PXERLRFWFPWHFW-INIZCTEOSA-N 1 0 302.422 2.122 40 0 DEABRO COc1ccc(CC(=O)Nc2ccc(C[NH3+])cc2)cc1OC ZINC000020027443 182180942 /nfs/dbraw/zinc/18/09/42/182180942.db2.gz GBDVQLAXOGDJRG-UHFFFAOYSA-N 1 0 300.358 2.344 40 0 DEABRO O=S(=O)(c1ccc(CC2CC[NH2+]CC2)cc1)N1CCCCC1 ZINC000020190638 182195520 /nfs/dbraw/zinc/19/55/20/182195520.db2.gz AUQJKRTWIBZXNF-UHFFFAOYSA-N 1 0 322.474 2.403 40 0 DEABRO CC(C)(CO)[NH2+]C[C@@H](O)CCO[C@@H]1C[C@@H]2CC[C@@]1(C)C2(C)C ZINC000028295445 182519950 /nfs/dbraw/zinc/51/99/50/182519950.db2.gz NMPWWLKZCVZQAN-OIPACUDHSA-N 1 0 313.482 2.329 40 0 DEABRO Cc1cccc[n+]1CCCN1C(=O)[C@H]2CC=C(Cl)C[C@@H]2C1=O ZINC000101612499 193828030 /nfs/dbraw/zinc/82/80/30/193828030.db2.gz BLVBTWMDWYRUEH-GJZGRUSLSA-N 1 0 319.812 2.190 40 0 DEABRO CCOC(=O)c1cccc(NC(=S)NC2CC[NH+](C)CC2)c1 ZINC000063145249 184273690 /nfs/dbraw/zinc/27/36/90/184273690.db2.gz NHVOIGDWQGBVOI-UHFFFAOYSA-N 1 0 321.446 2.244 40 0 DEABRO C[C@@H]1CCCC[C@@H]1NC(=O)C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000170380154 296330307 /nfs/dbraw/zinc/33/03/07/296330307.db2.gz BOZXQSQZWPVDOX-OCCSQVGLSA-N 1 0 323.481 2.107 40 0 DEABRO Cc1ccc(S(=O)(=O)[C@H]2[C@H](c3cccc(F)c3)[C@@H]2[NH3+])cc1 ZINC000242574947 257120410 /nfs/dbraw/zinc/12/04/10/257120410.db2.gz NLISCQDDKOTVIM-PMPSAXMXSA-N 1 0 305.374 2.401 40 0 DEABRO OC1(c2ccc3c(c2)OCO3)CC[NH+](Cc2cccnc2)CC1 ZINC000012144509 401779732 /nfs/dbraw/zinc/77/97/32/401779732.db2.gz SPLLJLRNSUEEJC-UHFFFAOYSA-N 1 0 312.369 2.294 40 0 DEABRO CCOC(=O)[C@H](C[NH2+]C)Cc1ccc(Br)cc1 ZINC000012649752 401789448 /nfs/dbraw/zinc/78/94/48/401789448.db2.gz DEIDCFATNLFLRJ-NSHDSACASA-N 1 0 300.196 2.390 40 0 DEABRO [NH2+]=C1NC2=C(CN(C3CCCCC3)C2=O)[C@H](c2ccccc2)N1 ZINC000017353492 401820878 /nfs/dbraw/zinc/82/08/78/401820878.db2.gz JRNIBYOGQKEJOB-HNNXBMFYSA-N 1 0 310.401 2.075 40 0 DEABRO CC(C)[N@@H+](Cc1ccccc1)C[C@H]1CCCCN1C(=O)C[NH3+] ZINC000079424368 401873293 /nfs/dbraw/zinc/87/32/93/401873293.db2.gz SLSLEVBACFIQHJ-QGZVFWFLSA-N 1 0 303.450 2.237 40 0 DEABRO COc1cccc(C(=O)NCC[NH+]2C[C@H](C)C[C@@H](C)C2)c1OC ZINC000046882616 401974992 /nfs/dbraw/zinc/97/49/92/401974992.db2.gz IVLABNYEXCOFJT-ZIAGYGMSSA-N 1 0 320.433 2.412 40 0 DEABRO Cn1cc(C[N@@H+]2C[C@H]3CCC[C@@]3(COc3ccccn3)C2)cn1 ZINC000096109359 402059491 /nfs/dbraw/zinc/05/94/91/402059491.db2.gz WQFQJEOQPFXQCL-AEFFLSMTSA-N 1 0 312.417 2.496 40 0 DEABRO c1csc(C[NH2+]C[C@H]2COCc3nc4ccccc4n32)n1 ZINC000096112712 402060403 /nfs/dbraw/zinc/06/04/03/402060403.db2.gz BIXIZDFNBFDGQF-NSHDSACASA-N 1 0 300.387 2.354 40 0 biogenic,in-vitro DEABRO COC(=O)c1ccc2c(c1)nc1n2[C@@H](C[NH2+]C2CCC2)COC1 ZINC000096112742 402060452 /nfs/dbraw/zinc/06/04/52/402060452.db2.gz UJTRCGCZJCRJEC-ZDUSSCGKSA-N 1 0 315.373 2.036 40 0 biogenic,in-vitro DEABRO O=C(C1CCOCC1)N1CC2(C1)CC[N@H+](Cc1ccsc1)C2 ZINC000096046499 402050553 /nfs/dbraw/zinc/05/05/53/402050553.db2.gz BRMRZPWJYXXQKR-UHFFFAOYSA-N 1 0 320.458 2.209 40 0 DEABRO c1cc(C[N@@H+]2CCC[C@@]3(C[C@@H](Nc4ncccn4)CO3)C2)co1 ZINC000096048332 402050674 /nfs/dbraw/zinc/05/06/74/402050674.db2.gz DBQXZXVFMHHACF-NVXWUHKLSA-N 1 0 314.389 2.305 40 0 DEABRO O=C(NC[C@@H]1OC[C@@H]2C[N@H+](Cc3cccs3)CC[C@H]12)C1CC1 ZINC000096057585 402053577 /nfs/dbraw/zinc/05/35/77/402053577.db2.gz UMWHGEBMMMKHMU-BPUTZDHNSA-N 1 0 320.458 2.111 40 0 DEABRO CN(Cc1cn2c(n1)C[N@@H+](CC1CC1)CC2)Cc1ccco1 ZINC000096059536 402053914 /nfs/dbraw/zinc/05/39/14/402053914.db2.gz FXMWCVLOSSNFNG-UHFFFAOYSA-N 1 0 300.406 2.334 40 0 DEABRO O=C1NC2(C[C@@H]1c1cccnc1)CC[NH+](Cc1ccccn1)CC2 ZINC000096061384 402055094 /nfs/dbraw/zinc/05/50/94/402055094.db2.gz KOGCLEPHMLSGEQ-QGZVFWFLSA-N 1 0 322.412 2.115 40 0 DEABRO COCCC(=O)N1CCC2(C[NH+](Cc3ccccc3C)C2)C1 ZINC000096070743 402056284 /nfs/dbraw/zinc/05/62/84/402056284.db2.gz ANQNVIHVHCMHPZ-UHFFFAOYSA-N 1 0 302.418 2.066 40 0 DEABRO c1cnc(NC[C@H]2CO[C@]3(C2)CCC[N@H+](CC2CC2)C3)nc1 ZINC000096075797 402057144 /nfs/dbraw/zinc/05/71/44/402057144.db2.gz SESLLRUXPFAIIQ-RDJZCZTQSA-N 1 0 302.422 2.170 40 0 DEABRO c1cnc(NCc2n[nH]c3c2CC[N@H+](CC2CCCC2)C3)nc1 ZINC000096084124 402057706 /nfs/dbraw/zinc/05/77/06/402057706.db2.gz JAZYSHNHOOZYND-UHFFFAOYSA-N 1 0 312.421 2.360 40 0 DEABRO Cc1nnc(C[C@@H]2C[C@H]3C[N@H+](Cc4ccsc4)C[C@H]3O2)o1 ZINC000096209600 402070331 /nfs/dbraw/zinc/07/03/31/402070331.db2.gz JVXXFCOFQVMRQM-MELADBBJSA-N 1 0 305.403 2.272 40 0 DEABRO Cc1ccc(C[N@@H+]2C[C@H]3OC[C@H](c4nc(C)no4)[C@H]3C2)s1 ZINC000096216421 402070912 /nfs/dbraw/zinc/07/09/12/402070912.db2.gz TZAAWUCGKINQER-HZSPNIEDSA-N 1 0 305.403 2.362 40 0 DEABRO CC[N@@H+]1CCOCC12CCN(C(=O)Cc1cccs1)CC2 ZINC000096226157 402072645 /nfs/dbraw/zinc/07/26/45/402072645.db2.gz LKBICGKWTLNSGC-UHFFFAOYSA-N 1 0 308.447 2.004 40 0 DEABRO Cn1cc(N2CC[C@]3(CCC[N@H+](Cc4ccoc4)C3)C2=O)cn1 ZINC000096224622 402072711 /nfs/dbraw/zinc/07/27/11/402072711.db2.gz NJUGVZIJIXNMIQ-KRWDZBQOSA-N 1 0 314.389 2.032 40 0 DEABRO Cn1cccc1C[N@@H+]1CC[C@@]2(CCN(Cc3cccnc3)C2=O)C1 ZINC000096159407 402063384 /nfs/dbraw/zinc/06/33/84/402063384.db2.gz QOPIJJYZFGSIOC-LJQANCHMSA-N 1 0 324.428 2.045 40 0 DEABRO Cn1cccc1C(=O)N1C[C@@H]2C[N@@H+](Cc3cccs3)C[C@@H]2C1 ZINC000096161557 402064147 /nfs/dbraw/zinc/06/41/47/402064147.db2.gz LKQLTEWFTNOOEZ-OKILXGFUSA-N 1 0 315.442 2.291 40 0 DEABRO CCc1ccc(C[NH+]2CCC3(CC2)OCC(=O)N(C)[C@H]3C)o1 ZINC000096201502 402068890 /nfs/dbraw/zinc/06/88/90/402068890.db2.gz NUSBBEJMOQTPHP-ZDUSSCGKSA-N 1 0 306.406 2.054 40 0 DEABRO O=C1N(Cc2cccnc2)CC[C@]12C[NH2+]C[C@H]2c1ccccc1 ZINC000096201907 402068931 /nfs/dbraw/zinc/06/89/31/402068931.db2.gz VWXMVCFFAFFUBD-PKOBYXMFSA-N 1 0 307.397 2.187 40 0 DEABRO Cc1ccc(S(=O)(=O)[C@@H]2[C@H]([NH3+])[C@@H]2c2ccc(F)cc2)cc1 ZINC000218561951 402296137 /nfs/dbraw/zinc/29/61/37/402296137.db2.gz LQWDJTHPWRVSPY-XHSDSOJGSA-N 1 0 305.374 2.401 40 0 DEABRO CCOC(=O)c1ccc(NC(=S)NCC[NH+](C)C)c(C)c1 ZINC000225404147 402316519 /nfs/dbraw/zinc/31/65/19/402316519.db2.gz KZBLCWRNNUKCED-UHFFFAOYSA-N 1 0 309.435 2.020 40 0 DEABRO C[NH+](C)C[C@@H]1CN(C(=O)CC2=CCCCC2)Cc2ccnn21 ZINC000248137271 402583671 /nfs/dbraw/zinc/58/36/71/402583671.db2.gz RXZZXYPXGRKMPH-MRXNPFEDSA-N 1 0 302.422 2.219 40 0 DEABRO Cc1cccc(CN2CC3(C2)CC[C@H](C[NH+]2CCCC2)CO3)n1 ZINC000247886687 402577319 /nfs/dbraw/zinc/57/73/19/402577319.db2.gz TYSYNEKNGPXNIQ-QGZVFWFLSA-N 1 0 315.461 2.467 40 0 DEABRO Cn1cccc1C(=O)N1CCC[C@@H]1c1cccc(C[NH+](C)C)n1 ZINC000257211701 402703971 /nfs/dbraw/zinc/70/39/71/402703971.db2.gz BZZFWLCBSUPMDI-MRXNPFEDSA-N 1 0 312.417 2.459 40 0 DEABRO COc1cc(C[NH+]2CCC3(CC2)OCCC[C@H]3O)cc(OC)c1 ZINC000257240229 402707710 /nfs/dbraw/zinc/70/77/10/402707710.db2.gz HSQQOXORJSYMDN-QGZVFWFLSA-N 1 0 321.417 2.210 40 0 DEABRO Cc1cc(N(C)C)cc([C@@H]2CCN(C(=O)c3cccnc3)C2)[nH+]1 ZINC000257245353 402708183 /nfs/dbraw/zinc/70/81/83/402708183.db2.gz IPCNBYVRNWKXBP-OAHLLOKOSA-N 1 0 310.401 2.481 40 0 DEABRO Cc1cc(C(=O)N2CC[C@@H](c3cc(N(C)C)cc(C)[nH+]3)C2)no1 ZINC000257268945 402710384 /nfs/dbraw/zinc/71/03/84/402710384.db2.gz MNXAAQANZJTDJX-CYBMUJFWSA-N 1 0 314.389 2.382 40 0 DEABRO Cc1cc(CC[C@@H]2C[N@H+](CC3(O)CCCCC3)CCO2)ncn1 ZINC000257290833 402711133 /nfs/dbraw/zinc/71/11/33/402711133.db2.gz QEMZBCMOWRQYPC-QGZVFWFLSA-N 1 0 319.449 2.114 40 0 DEABRO COCC[NH+]1CCC(c2cc(-c3ccnn3C)nc(C)n2)CC1 ZINC000257285773 402711428 /nfs/dbraw/zinc/71/14/28/402711428.db2.gz PIUQRZHNXCCCQW-UHFFFAOYSA-N 1 0 315.421 2.011 40 0 DEABRO c1coc(CN2CCOC[C@]3(CC[C@@H](C[NH+]4CCCC4)O3)C2)c1 ZINC000253595512 402669710 /nfs/dbraw/zinc/66/97/10/402669710.db2.gz FKQGPLZKGBJISZ-ROUUACIJSA-N 1 0 320.433 2.125 40 0 DEABRO C[C@]12CN(Cc3ccccc3)C[C@H]1NC(=O)c1ccccc1[C@@H]2[NH3+] ZINC000253591737 402669960 /nfs/dbraw/zinc/66/99/60/402669960.db2.gz TWXVMGOZCGGXHQ-HBFSDRIKSA-N 1 0 321.424 2.321 40 0 DEABRO CC(C)Oc1ccc([C@H]2C[NH2+]CCN2Cc2c[nH]cn2)cc1 ZINC000257204546 402702252 /nfs/dbraw/zinc/70/22/52/402702252.db2.gz AVCKOSBADKTXKY-QGZVFWFLSA-N 1 0 300.406 2.343 40 0 DEABRO O=C(C[N@@H+]1C[C@@H]2C[C@@H](Oc3ccccc3)C[C@@H]2C1)N1CCCC1 ZINC000257202965 402702715 /nfs/dbraw/zinc/70/27/15/402702715.db2.gz AOBFLERHZMADPG-VQFNDLOPSA-N 1 0 314.429 2.398 40 0 DEABRO CC(C)Nc1nc(NCc2ccccn2)cc(-c2ccncc2)n1 ZINC000328978420 404188824 /nfs/dbraw/zinc/18/88/24/404188824.db2.gz FZCWSXSPMJUVRF-UHFFFAOYSA-N 1 0 320.400 2.210 40 0 DEABRO CN1Cc2ccccc2[C@@H](NC(=O)NCC2(O)CCCCC2)C1 ZINC000378278188 404915429 /nfs/dbraw/zinc/91/54/29/404915429.db2.gz UTJVCLXUMVDLLK-INIZCTEOSA-N 1 0 317.433 2.168 40 0 DEABRO C[C@@H]1CCCC[C@H]1NC(=O)C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000170380158 287311791 /nfs/dbraw/zinc/31/17/91/287311791.db2.gz BOZXQSQZWPVDOX-TZMCWYRMSA-N 1 0 323.481 2.107 40 0 DEABRO C[C@H](NC(=O)N1CCC[C@H]([NH+]2CCCC2)CC1)C1CCOCC1 ZINC000151168794 196642583 /nfs/dbraw/zinc/64/25/83/196642583.db2.gz IBIDEPZWONXIAB-RDJZCZTQSA-N 1 0 323.481 2.461 40 0 DEABRO C[NH+]1CCC2(CC1)c1ccccc1N(CC1CC1)S2(=O)=O ZINC000306126317 273872288 /nfs/dbraw/zinc/87/22/88/273872288.db2.gz DSLULFFIWGIEJA-UHFFFAOYSA-N 1 0 306.431 2.167 40 0 DEABRO CC[NH+](CC)CC[C@@H]1CN(C2CCOCC2)Cc2ccnn21 ZINC000248264986 276101815 /nfs/dbraw/zinc/10/18/15/276101815.db2.gz SDYGDNCERLLGIV-QGZVFWFLSA-N 1 0 306.454 2.151 40 0 DEABRO COc1cc([C@H]2C[NH2+]Cc3cc(O)c(OC)cc32)ccc1O ZINC000024717562 277839339 /nfs/dbraw/zinc/83/93/39/277839339.db2.gz DBYFOBQHECKLQR-CYBMUJFWSA-N 1 0 301.342 2.350 40 0 DEABRO CCN(CC[NH3+])Cc1ccccc1I ZINC000079431617 185171022 /nfs/dbraw/zinc/17/10/22/185171022.db2.gz WRHJYADYQYPMEH-UHFFFAOYSA-N 1 0 304.175 2.072 40 0 DEABRO [NH3+]CCN1CCC[C@@H](N(C(=O)OCc2ccccc2)C2CC2)C1 ZINC000079391019 185167951 /nfs/dbraw/zinc/16/79/51/185167951.db2.gz MKRPTTPEWYFPNN-QGZVFWFLSA-N 1 0 317.433 2.211 40 0 DEABRO Cc1cccc(C[N@@H+]2C[C@H]3OC[C@@H](CNc4ccccn4)[C@H]3C2)n1 ZINC000306133359 231088149 /nfs/dbraw/zinc/08/81/49/231088149.db2.gz MJNPRSZRHIDFND-KBAYOESNSA-N 1 0 324.428 2.344 40 0 DEABRO CC[N@H+](CCO)C[C@@H]1CCCCN1C(=O)OCc1ccccc1 ZINC000079391683 185168311 /nfs/dbraw/zinc/16/83/11/185168311.db2.gz DKKKNTGBCSBRBJ-KRWDZBQOSA-N 1 0 320.433 2.492 40 0 DEABRO Cc1ncsc1CN1Cc2cncn2[C@H](CC[NH+](C)C)C1 ZINC000306141325 231089960 /nfs/dbraw/zinc/08/99/60/231089960.db2.gz VRZUEKCFYITWKY-CYBMUJFWSA-N 1 0 305.451 2.157 40 0 DEABRO CC[NH+]1CCN(c2ccc(-n3cccc3)cc2C(=O)OC)CC1 ZINC000226277750 201771662 /nfs/dbraw/zinc/77/16/62/201771662.db2.gz ZJZGUJGRPXPKFS-UHFFFAOYSA-N 1 0 313.401 2.406 40 0 DEABRO Cc1nc(Nc2nccs2)cc([C@H]2CCC[N@@H+]2CCO)n1 ZINC000072360136 191130217 /nfs/dbraw/zinc/13/02/17/191130217.db2.gz CCBYGWUZQSABIZ-GFCCVEGCSA-N 1 0 305.407 2.114 40 0 DEABRO CC(C)[N@@H+]1CCC[C@H](c2cccc(C(=O)N3CCOCC3)n2)C1 ZINC000072358300 191130902 /nfs/dbraw/zinc/13/09/02/191130902.db2.gz TZMAWPYSTPWTOF-HNNXBMFYSA-N 1 0 317.433 2.142 40 0 DEABRO Cc1cc(CCC(=O)Nc2cn[nH]c2)cc([C@H]2CCC[N@H+]2C)n1 ZINC000072360577 191132269 /nfs/dbraw/zinc/13/22/69/191132269.db2.gz ROIWOJUSRAXPPN-MRXNPFEDSA-N 1 0 313.405 2.451 40 0 DEABRO Cc1n[nH]c(C)c1[C@H](C)NC(=O)C1C[NH+](C2CCCCC2)C1 ZINC000019747442 354045031 /nfs/dbraw/zinc/04/50/31/354045031.db2.gz BSVISNTYSDYFFE-NSHDSACASA-N 1 0 304.438 2.468 40 0 DEABRO C[NH+]1CCC(CC(=O)N2CCN(c3ccccc3)CC2)CC1 ZINC000074920937 191388372 /nfs/dbraw/zinc/38/83/72/191388372.db2.gz DPDKEGFDZHXAHM-UHFFFAOYSA-N 1 0 301.434 2.067 40 0 DEABRO O=C1CC[C@@H]2[C@@H](CC[N@@H+]2Cc2ccco2)N1Cc1cccnc1 ZINC000096110747 355698347 /nfs/dbraw/zinc/69/83/47/355698347.db2.gz CSCNPTHDSNNJDV-IAGOWNOFSA-N 1 0 311.385 2.440 40 0 DEABRO c1cc2n(n1)[C@@H](CC[NH+]1CCCC1)CN(Cc1ccccn1)C2 ZINC000585112762 357335392 /nfs/dbraw/zinc/33/53/92/357335392.db2.gz VXZVOGVJERFFOG-SFHVURJKSA-N 1 0 311.433 2.321 40 0 DEABRO CN1CCC([NH2+]C[C@H]2CC[C@@H](Oc3ccc(F)cc3)[C@@H]2O)CC1 ZINC000585285422 357344496 /nfs/dbraw/zinc/34/44/96/357344496.db2.gz CMHVRLQBCJSWQR-FSPWUOQZSA-N 1 0 322.424 2.028 40 0 DEABRO Cc1ccc(OC[C@@]2(O)C[N@@H+](C3CCCC3)CC[C@@H]2O)cc1 ZINC000585284232 357344538 /nfs/dbraw/zinc/34/45/38/357344538.db2.gz VWFSJKIQPWVKRC-ROUUACIJSA-N 1 0 305.418 2.114 40 0 DEABRO C[C@@H](CNC(=O)[C@H](C)N1C[C@@H](C)O[C@@H](C)C1)c1ccccc1 ZINC000180310733 199143634 /nfs/dbraw/zinc/14/36/34/199143634.db2.gz WYWRSQFEKYSKCP-JONQDZQNSA-N 1 0 304.434 2.404 40 0 DEABRO C[C@@]1(C(=O)Nc2cccc(N3CCCC3=O)c2)CCC[NH2+]C1 ZINC000237633021 202311959 /nfs/dbraw/zinc/31/19/59/202311959.db2.gz UJOOETKOKHERHN-QGZVFWFLSA-N 1 0 301.390 2.142 40 0 DEABRO COc1ccc(C[C@@H]2CC3(CO2)CC[NH+](CCO)CC3)cc1 ZINC000257262163 202992711 /nfs/dbraw/zinc/99/27/11/202992711.db2.gz LKJPAYMIXXITTP-QGZVFWFLSA-N 1 0 305.418 2.101 40 0 DEABRO O=C(N[C@@H]1CCCC[C@@H]([NH+]2CCCC2)[C@@H]1O)c1ccccc1F ZINC000257270458 203000388 /nfs/dbraw/zinc/00/03/88/203000388.db2.gz MUHVTIIZXDOZGA-BRWVUGGUSA-N 1 0 320.408 2.323 40 0 DEABRO CC(C)(C)c1cc(C(=O)N2CCCC[C@H]3C[NH2+]CC[C@H]32)[nH]n1 ZINC000257270324 203000635 /nfs/dbraw/zinc/00/06/35/203000635.db2.gz MTTFTAVSNZTIGF-GXTWGEPZSA-N 1 0 304.438 2.311 40 0 DEABRO O=C(c1cccc2c1OCCO2)N1CC[C@H]2[NH2+]CCCC[C@@H]2C1 ZINC000257305993 203029424 /nfs/dbraw/zinc/02/94/24/203029424.db2.gz SSKRZGXTZKTPPD-UKRRQHHQSA-N 1 0 316.401 2.062 40 0 DEABRO Cc1ncsc1-c1ccc(C(=O)N2CCC[N@@H+](C)CC2)cn1 ZINC000257337979 203060664 /nfs/dbraw/zinc/06/06/64/203060664.db2.gz YVGYYUWFPPBMRL-UHFFFAOYSA-N 1 0 316.430 2.291 40 0 DEABRO CN(Cc1cnc([C@@H]2CCCCO2)nc1)C1CC[NH+](C)CC1 ZINC000257340654 203063571 /nfs/dbraw/zinc/06/35/71/203063571.db2.gz ZHBGVONKZZNDPF-INIZCTEOSA-N 1 0 304.438 2.244 40 0 DEABRO O=C(c1cscn1)N1C[C@@H]2C[N@@H+](CC3CCCC3)C[C@@H]2C1 ZINC000096080970 193528492 /nfs/dbraw/zinc/52/84/92/193528492.db2.gz YDEFBYREERBPKZ-OKILXGFUSA-N 1 0 305.447 2.337 40 0 DEABRO Cn1cc(C[NH+]2CCC3(C[C@H](OCC4CCC4)CO3)CC2)cn1 ZINC000096106952 193540530 /nfs/dbraw/zinc/54/05/30/193540530.db2.gz XYOUJKFEXQWXFX-KRWDZBQOSA-N 1 0 319.449 2.360 40 0 DEABRO CCS(=O)(=O)[C@@H](C)[C@@H]([NH3+])c1ccc(Br)cc1 ZINC000096524813 193675703 /nfs/dbraw/zinc/67/57/03/193675703.db2.gz CVBJEZKZUVHGJG-GZMMTYOYSA-N 1 0 306.225 2.272 40 0 DEABRO CC(C)CC(=O)N1CCC[C@H]1c1ncc2c(n1)CC[N@@H+](C)C2 ZINC000019446425 182123443 /nfs/dbraw/zinc/12/34/43/182123443.db2.gz HOXWJZLEVNDNBZ-HNNXBMFYSA-N 1 0 302.422 2.174 40 0 DEABRO C[C@@H]1CCC[N@H+](C[C@H](O)COCCOc2ccc(F)cc2)C1 ZINC000041690217 183217906 /nfs/dbraw/zinc/21/79/06/183217906.db2.gz FTGWBCGALZPYGI-ZBFHGGJFSA-N 1 0 311.397 2.314 40 0 DEABRO COc1ccc([C@H]2[C@@H](S(=O)(=O)c3ccccc3)[C@@H]2C[NH3+])cc1 ZINC000218097598 257131601 /nfs/dbraw/zinc/13/16/01/257131601.db2.gz SXJFNECNOKYECL-ZACQAIPSSA-N 1 0 317.410 2.210 40 0 DEABRO CC(C)C[N@@H+]1C[C@@H]2CN(Cc3nccs3)CCN2C(C)(C)C1 ZINC000514288611 257216219 /nfs/dbraw/zinc/21/62/19/257216219.db2.gz DHWKUAYIVRYYPJ-HNNXBMFYSA-N 1 0 322.522 2.380 40 0 biogenic,in-vitro DEABRO C[C@@H]1C[C@@H](C)CN(c2ncnc3c2cnn3C2CC[NH2+]CC2)C1 ZINC000228923265 257214613 /nfs/dbraw/zinc/21/46/13/257214613.db2.gz PADNVIDOLHOIIB-CHWSQXEVSA-N 1 0 314.437 2.233 40 0 DEABRO O=C(N[C@@H]([C@H]1CC[NH2+]C1)C(F)(F)F)OCc1ccccc1 ZINC000228905617 257214698 /nfs/dbraw/zinc/21/46/98/257214698.db2.gz GKSGKNQRGRVJFB-RYUDHWBXSA-N 1 0 302.296 2.453 40 0 DEABRO COc1ccc(C(=O)N2CCC[C@@]3(C[N@H+](C)CCO3)CC2)cc1 ZINC000306131888 533299595 /nfs/dbraw/zinc/29/95/95/533299595.db2.gz KSCIMHRKYGJYOL-SFHVURJKSA-N 1 0 318.417 2.022 40 0 DEABRO COc1ccccc1N1CCN(C2[C@@H]3CCC[C@H]2C[NH2+]C3)CC1 ZINC000019571188 134533133 /nfs/dbraw/zinc/53/31/33/134533133.db2.gz OAYJLHBRRPRCAE-MCPYQZEQSA-N 1 0 315.461 2.205 40 0 DEABRO COc1cc(C[NH2+]C(C)(C)C)cc(Cl)c1OCC(N)=O ZINC000006882506 401733295 /nfs/dbraw/zinc/73/32/95/401733295.db2.gz PRFKUMGQHTYWNR-UHFFFAOYSA-N 1 0 300.786 2.101 40 0 DEABRO Cc1ccc(C[N@@H+]2CCc3nc(N4CCCC4)[nH]c(=O)c3C2)cc1 ZINC000072389565 401709615 /nfs/dbraw/zinc/70/96/15/401709615.db2.gz XQCOWHMBLGHKMY-UHFFFAOYSA-N 1 0 324.428 2.237 40 0 DEABRO COc1cc2cccnc2c(NCCCCCNC(N)=[NH2+])c1 ZINC000001687520 401709831 /nfs/dbraw/zinc/70/98/31/401709831.db2.gz OJKBBXSHHJQPJI-UHFFFAOYSA-N 1 0 301.394 2.309 40 0 DEABRO COc1ccc(O[C@H](C)C(=O)NCCC[NH+]2CCCCC2)cc1 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Cn1c(C(=O)N2CC[C@H]([NH+](C)C)C2)cc2c1c1ccccc1n2C ZINC000096146279 402061919 /nfs/dbraw/zinc/06/19/19/402061919.db2.gz PRKVVXDYGDNMKI-ZDUSSCGKSA-N 1 0 324.428 2.446 40 0 DEABRO COc1ncccc1CN1C[C@@H]2C[N@@H+](Cc3cccnc3)C[C@@H]2C1 ZINC000096161480 402063946 /nfs/dbraw/zinc/06/39/46/402063946.db2.gz WAZHNMAZJLVBLN-HDICACEKSA-N 1 0 324.428 2.049 40 0 DEABRO CN(C)C(=O)c1nc2c(s1)CC[N@H+](Cc1ccco1)CC2 ZINC000096187570 402066060 /nfs/dbraw/zinc/06/60/60/402066060.db2.gz VRMQTZNMAZIVGK-UHFFFAOYSA-N 1 0 305.403 2.039 40 0 DEABRO O=C1C[C@H](c2cccnc2)C2(CC[NH+](Cc3ccco3)CC2)N1 ZINC000096199694 402068103 /nfs/dbraw/zinc/06/81/03/402068103.db2.gz QWVXBSSCMKGQIT-MRXNPFEDSA-N 1 0 311.385 2.313 40 0 DEABRO CC(C)[NH+]1CCC2(CC1)OCC(=O)N(c1cccnc1)[C@H]2C ZINC000096201603 402068672 /nfs/dbraw/zinc/06/86/72/402068672.db2.gz QKFKIUDHNLHYKL-AWEZNQCLSA-N 1 0 303.406 2.076 40 0 DEABRO Cc1cc(CN2CC[C@H]3C[C@H](c4ccnc(C)n4)O[C@@H]3C2)no1 ZINC000097953901 402133781 /nfs/dbraw/zinc/13/37/81/402133781.db2.gz 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CC(C)CN1c2ccccc2C2(CC[NH+](C)CC2)S1(=O)=O ZINC000306144797 403950922 /nfs/dbraw/zinc/95/09/22/403950922.db2.gz ZOSLGVSAKXNQGF-UHFFFAOYSA-N 1 0 308.447 2.413 40 0 DEABRO CN1c2ccccc2C2(CC[NH+](C3CCC3)CC2)S1(=O)=O ZINC000306127461 403950934 /nfs/dbraw/zinc/95/09/34/403950934.db2.gz FZBDGPMZGKBIRP-UHFFFAOYSA-N 1 0 306.431 2.310 40 0 DEABRO COC(=O)c1ccc2c(c1)CCN(c1cc(NC3CC3)ncn1)C2 ZINC000328966539 404184666 /nfs/dbraw/zinc/18/46/66/404184666.db2.gz CMIZQXFZEAHUSW-UHFFFAOYSA-N 1 0 324.384 2.400 40 0 DEABRO Cc1nc(C(=O)NC2CCCCC2)cc(C2CC[NH2+]CC2)n1 ZINC000072365568 293178240 /nfs/dbraw/zinc/17/82/40/293178240.db2.gz HRWTUHCOCKDIBM-UHFFFAOYSA-N 1 0 302.422 2.315 40 0 DEABRO CNc1cc(CC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)ncn1 ZINC000257291982 331958838 /nfs/dbraw/zinc/95/88/38/331958838.db2.gz QJMLAIOOVJRSBI-CVEARBPZSA-N 1 0 304.438 2.076 40 0 DEABRO CC(C)[C@H](NC[C@]1(O)CCC[N@H+](C)C1)c1nc2ccccc2[nH]1 ZINC000046087357 1078371608 /nfs/dbraw/zinc/37/16/08/1078371608.db2.gz KMUGKVDSUWVBCS-FUHWJXTLSA-N 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MQKXBEWPUHMBFV-UHFFFAOYSA-N 1 0 313.405 2.459 40 0 DEABRO Cc1nnc(Nc2cccc([C@@H]3CCC[N@H+](CCO)C3)n2)s1 ZINC000072383043 191143251 /nfs/dbraw/zinc/14/32/51/191143251.db2.gz LPEVXYIWZHLLKQ-GFCCVEGCSA-N 1 0 319.434 2.157 40 0 DEABRO C[NH+]1CCN(Cc2c3cccnc3[nH]c2C2CCOCC2)CC1 ZINC000072394985 191149656 /nfs/dbraw/zinc/14/96/56/191149656.db2.gz YKVBNOSGPIJEBT-UHFFFAOYSA-N 1 0 314.433 2.204 40 0 DEABRO CC[N@H+](C)[C@@H]1CN(C(=O)c2cnn(C)c2)C2(C1)CCCCC2 ZINC000019704848 354045553 /nfs/dbraw/zinc/04/55/53/354045553.db2.gz AGFGZXGZVWZYJX-HNNXBMFYSA-N 1 0 304.438 2.289 40 0 DEABRO CC(=O)c1ccc(N2C(=O)C[C@H]([NH2+]C3CCCCC3)C2=O)cc1 ZINC000004853389 181163225 /nfs/dbraw/zinc/16/32/25/181163225.db2.gz KFLGAHWKMKJTAD-INIZCTEOSA-N 1 0 314.385 2.443 40 0 DEABRO O=C1N(c2ncccn2)C[C@]12CCC[N@H+](CCc1ccccc1)C2 ZINC000585099288 357333398 /nfs/dbraw/zinc/33/33/98/357333398.db2.gz BMUVLQGITIIILF-LJQANCHMSA-N 1 0 322.412 2.148 40 0 DEABRO CC(C)[N@@H+]1CCOC[C@]2(CC(=O)N(Cc3ccccc3)C2)C1 ZINC000585103494 357333868 /nfs/dbraw/zinc/33/38/68/357333868.db2.gz CXNJMAXORRAGNF-GOSISDBHSA-N 1 0 302.418 2.146 40 0 DEABRO Cc1cccc(O[C@@H]2CCC[C@H]([NH+]3CCC(O)CC3)[C@H]2O)c1 ZINC000585289190 357344235 /nfs/dbraw/zinc/34/42/35/357344235.db2.gz NOFVTLWZNIHCFO-RCCFBDPRSA-N 1 0 305.418 2.113 40 0 DEABRO Cc1ccc(O[C@@H]2CCC[C@H](C[NH2+]Cc3ncc[nH]3)[C@H]2O)cc1 ZINC000585287275 357344335 /nfs/dbraw/zinc/34/43/35/357344335.db2.gz WOBLKSJVHURVNG-QGPMSJSTSA-N 1 0 315.417 2.416 40 0 DEABRO O[C@@H]1[C@@H](C[NH2+]Cc2cnc[nH]2)CCC[C@H]1Oc1cccc(F)c1 ZINC000585286563 357344393 /nfs/dbraw/zinc/34/43/93/357344393.db2.gz LNIPNWYLLXVSNW-CSMYWGQOSA-N 1 0 319.380 2.247 40 0 DEABRO CN1CCC[N@@H+]([C@H]2CCC[C@@H](Oc3ccc(F)cc3)[C@@H]2O)CC1 ZINC000585284252 357345027 /nfs/dbraw/zinc/34/50/27/357345027.db2.gz GQMVILSRHNTMPL-RCCFBDPRSA-N 1 0 322.424 2.124 40 0 DEABRO CC[N@H+](CCN(C)C)[C@H]1CCC[C@@H](Oc2ccc(F)cc2)[C@@H]1O ZINC000585290079 357345119 /nfs/dbraw/zinc/34/51/19/357345119.db2.gz RNFPDRMMALOIGN-RCCFBDPRSA-N 1 0 324.440 2.370 40 0 DEABRO Cc1ccc(C)c2[nH]c(=O)c(C[NH2+]C[C@@H](O)COC(C)C)cc12 ZINC000585292960 357345871 /nfs/dbraw/zinc/34/58/71/357345871.db2.gz QFSMNAKGEFLXKX-OAHLLOKOSA-N 1 0 318.417 2.433 40 0 DEABRO C[NH+]1CCC(N)(C(=O)NC(c2ccccc2)c2ccccc2)CC1 ZINC000091690025 193091280 /nfs/dbraw/zinc/09/12/80/193091280.db2.gz OABWTZWDEQWEBI-UHFFFAOYSA-N 1 0 323.440 2.315 40 0 DEABRO O=C1CO[C@H]2CC[N@H+](Cc3cccc4ccccc43)CC[C@@H]2N1 ZINC000257236861 202969477 /nfs/dbraw/zinc/96/94/77/202969477.db2.gz HEBMOFGVEHDNMW-ROUUACIJSA-N 1 0 310.397 2.319 40 0 DEABRO [NH3+]Cc1cccc(-c2cccnc2C(=O)NC2CCOCC2)c1 ZINC000257324144 203047470 /nfs/dbraw/zinc/04/74/70/203047470.db2.gz WNJFQVKPYUBFEG-UHFFFAOYSA-N 1 0 311.385 2.116 40 0 DEABRO Cn1cncc1C[N@@H+]1CCOC[C@H](Cc2cccc(F)c2)C1 ZINC000257344061 203066772 /nfs/dbraw/zinc/06/67/72/203066772.db2.gz ZVPXUSYOOGNRSL-OAHLLOKOSA-N 1 0 303.381 2.250 40 0 DEABRO CCN(C(=O)OC(C)(C)C)C1CCC(NC(=O)[C@H](C)[NH3+])CC1 ZINC000079409735 284193306 /nfs/dbraw/zinc/19/33/06/284193306.db2.gz BSBDPKZEEHABGV-HIFPTAJRSA-N 1 0 313.442 2.018 40 0 DEABRO [NH3+][C@H](Cc1cc(=O)[nH]c(-c2ccccn2)n1)c1ccc(F)cc1 ZINC000019402921 182121586 /nfs/dbraw/zinc/12/15/86/182121586.db2.gz UGALPEZPBKJABS-CQSZACIVSA-N 1 0 310.332 2.214 40 0 DEABRO CCC[C@H](c1nnnn1CCC(C)C)N1CC[NH+](CC)CC1 ZINC000019501896 182125568 /nfs/dbraw/zinc/12/55/68/182125568.db2.gz VNWQAOKMQVWCNO-OAHLLOKOSA-N 1 0 308.474 2.198 40 0 DEABRO COc1ccc(CN2C[C@H]3CCC[N@@H+]3C[C@H]2C)c(OC)c1OC ZINC000019575102 182130780 /nfs/dbraw/zinc/13/07/80/182130780.db2.gz WFZFKCYFUDZFMR-UKRRQHHQSA-N 1 0 320.433 2.381 40 0 DEABRO Cc1nccn1CCC(=O)N1CCC([C@H]2CCCC[N@H+]2C)CC1 ZINC000019746558 182142083 /nfs/dbraw/zinc/14/20/83/182142083.db2.gz OZUOXNDRZQLKCY-QGZVFWFLSA-N 1 0 318.465 2.305 40 0 DEABRO CC(C)(C)NS(=O)(=O)c1ccc(CC2CC[NH2+]CC2)cc1 ZINC000020190653 182195777 /nfs/dbraw/zinc/19/57/77/182195777.db2.gz RHQBXOLVPXWJAS-UHFFFAOYSA-N 1 0 310.463 2.306 40 0 DEABRO CC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1ccc(C(C)C)cc1 ZINC000119913802 195061338 /nfs/dbraw/zinc/06/13/38/195061338.db2.gz INNBRJZEBHYXFI-INIZCTEOSA-N 1 0 317.433 2.349 40 0 DEABRO Cc1nnc([C@@H]2CCO[C@@H]3CC[N@H+](Cc4ccccn4)C[C@@H]32)o1 ZINC000096043518 256554269 /nfs/dbraw/zinc/55/42/69/256554269.db2.gz MPFYCMJGWDFBEU-BZUAXINKSA-N 1 0 314.389 2.168 40 0 DEABRO C[C@@]1(O)CC[NH2+][C@@H](c2ccccc2)[C@@H]1NC(=O)C1CCCC1 ZINC000514290043 257215997 /nfs/dbraw/zinc/21/59/97/257215997.db2.gz VWMKWVGYPBMFPY-XYJFISCASA-N 1 0 302.418 2.147 40 0 biogenic,in-vitro DEABRO CCCC[NH2+]Cc1cc(Cl)c(OCC(N)=O)c(OCC)c1 ZINC000007261632 401738184 /nfs/dbraw/zinc/73/81/84/401738184.db2.gz XFCJEXBKQXOTEM-UHFFFAOYSA-N 1 0 314.813 2.493 40 0 DEABRO CC(=O)CC[C@]1(c2cc[n+](C)cc2)CC[C@](C)(O)[C@H](C(C)=O)C1 ZINC000001597045 401708862 /nfs/dbraw/zinc/70/88/62/401708862.db2.gz HIKLFVACCNRXKO-FHWLQOOXSA-N 1 0 318.437 2.258 40 0 DEABRO CSc1ncc(C(=O)NC(C)(C)C[N@@H+]2CCC[C@@H](C)C2)cn1 ZINC000012203331 401781968 /nfs/dbraw/zinc/78/19/68/401781968.db2.gz JCCQKBNFUHGBEX-GFCCVEGCSA-N 1 0 322.478 2.439 40 0 DEABRO C[C@]12C[N@H+](Cc3ccccc3)C[C@H]1NC(=O)c1ccccc1[C@H]2O ZINC000019576495 401822288 /nfs/dbraw/zinc/82/22/88/401822288.db2.gz UCBYSXHYJYYCPA-GGPKGHCWSA-N 1 0 322.408 2.354 40 0 DEABRO C[C@H](O)C[NH2+]CCNCc1ccc(OCc2cccs2)cc1 ZINC000022076416 401826332 /nfs/dbraw/zinc/82/63/32/401826332.db2.gz VQFCINAXXGPBFN-AWEZNQCLSA-N 1 0 320.458 2.387 40 0 DEABRO Cc1ccc(N2CC[NH+](C[C@@H](O)COC(C)(C)C)CC2)cc1 ZINC000026893788 401842762 /nfs/dbraw/zinc/84/27/62/401842762.db2.gz KAZXIGOHPPEACK-QGZVFWFLSA-N 1 0 306.450 2.293 40 0 DEABRO C[C@H]([NH3+])C(=O)N[C@@H]1CCCC[C@H]1[N@H+](Cc1ccccc1)C1CC1 ZINC000079415693 401873181 /nfs/dbraw/zinc/87/31/81/401873181.db2.gz UMGDQPUHAYHDGC-BMGDILEWSA-N 1 0 315.461 2.426 40 0 DEABRO [NH3+][C@@H](Cc1c[nH]cn1)c1nc2cc(Br)ccc2[nH]1 ZINC000037441197 401913947 /nfs/dbraw/zinc/91/39/47/401913947.db2.gz FFWOIROWJNNAJP-VIFPVBQESA-N 1 0 306.167 2.291 40 0 DEABRO C(OC[C@H]1CC2(CO1)CC[NH+](C1CCOCC1)CC2)C1CC1 ZINC000096106023 402058991 /nfs/dbraw/zinc/05/89/91/402058991.db2.gz VANFZJZIHDTNJH-QGZVFWFLSA-N 1 0 309.450 2.463 40 0 DEABRO O=C(NCc1ccco1)[C@H]1CCC2(CC[NH+](C3CCC3)CC2)O1 ZINC000096110001 402059655 /nfs/dbraw/zinc/05/96/55/402059655.db2.gz GKZFHJUGUOHEEP-MRXNPFEDSA-N 1 0 318.417 2.462 40 0 DEABRO CN(C)C(=O)[C@@H]1CCC2(CC[NH+](Cc3cccc(F)c3)CC2)O1 ZINC000096111114 402060505 /nfs/dbraw/zinc/06/05/05/402060505.db2.gz OSQJEDHSDLQINX-INIZCTEOSA-N 1 0 320.408 2.428 40 0 DEABRO O=C(NCC1CC1)[C@@]12CCO[C@@H]1CC[N@H+](Cc1ccsc1)C2 ZINC000096038679 402048397 /nfs/dbraw/zinc/04/83/97/402048397.db2.gz COPQEDPEPKHFKB-NVXWUHKLSA-N 1 0 320.458 2.255 40 0 DEABRO Cn1cnc2c1[C@H](COCC1CCOCC1)C[N@@H+](C1CCC1)C2 ZINC000096045016 402049359 /nfs/dbraw/zinc/04/93/59/402049359.db2.gz FJIUFWDNCKVGOV-HNNXBMFYSA-N 1 0 319.449 2.315 40 0 DEABRO Cc1nc([C@@H]2C[C@H]3C[N@H+](Cc4scnc4C)C[C@H]3O2)no1 ZINC000096045870 402050155 /nfs/dbraw/zinc/05/01/55/402050155.db2.gz PCWISUKXXMHYET-SDDRHHMPSA-N 1 0 306.391 2.105 40 0 DEABRO O=C(c1cscn1)N1C[C@@H]2C[N@@H+](Cc3ccsc3)C[C@@H]2C1 ZINC000096053928 402052517 /nfs/dbraw/zinc/05/25/17/402052517.db2.gz SRXOOKFXUVUBFK-BETUJISGSA-N 1 0 319.455 2.409 40 0 DEABRO Cc1cccc(CN2C(=O)C[C@@H]3[C@@H]2CC[N@@H+]3Cc2ccncc2)n1 ZINC000096055767 402052596 /nfs/dbraw/zinc/05/25/96/402052596.db2.gz GYSZRRZUGDJXEH-ZWKOTPCHSA-N 1 0 322.412 2.160 40 0 DEABRO CC1CCN(C(=O)[C@H]2CC[C@@H]3[C@@H](CC[N@@H+]3CC3CC3)O2)CC1 ZINC000096057544 402053464 /nfs/dbraw/zinc/05/34/64/402053464.db2.gz SYNNTTSTHGKAMB-BRWVUGGUSA-N 1 0 306.450 2.277 40 0 DEABRO O=C1C[C@@H](c2cccnc2)C2(CC[NH+](Cc3ccncc3)CC2)N1 ZINC000096061460 402055088 /nfs/dbraw/zinc/05/50/88/402055088.db2.gz OMEYPAFBNLAJRI-KRWDZBQOSA-N 1 0 322.412 2.115 40 0 DEABRO O=C(NCC1CC1)[C@H]1C[N@H+](Cc2ccsc2)C[C@H]2OCC[C@H]21 ZINC000096065572 402055628 /nfs/dbraw/zinc/05/56/28/402055628.db2.gz NREZRYSYLQELAQ-HRCADAONSA-N 1 0 320.458 2.111 40 0 DEABRO CC(C)COC[C@H]1CN(CC[NH+]2CCCC2)Cc2ncn(C)c21 ZINC000096068634 402056196 /nfs/dbraw/zinc/05/61/96/402056196.db2.gz XUYOIFBULZRDLY-MRXNPFEDSA-N 1 0 320.481 2.088 40 0 DEABRO Fc1ccc(C[N@@H+]2CC[C@]23CCN(Cc2cc[nH]n2)C3)cc1 ZINC000096076078 402056872 /nfs/dbraw/zinc/05/68/72/402056872.db2.gz PIBIDVUHKJECPM-KRWDZBQOSA-N 1 0 300.381 2.399 40 0 DEABRO O=C(C[C@H]1C[C@H]2C[N@H+](Cc3ccsc3)C[C@H]2O1)NCC1CC1 ZINC000096215619 402070397 /nfs/dbraw/zinc/07/03/97/402070397.db2.gz SWPVSFBZMDESDH-ARFHVFGLSA-N 1 0 320.458 2.254 40 0 DEABRO COC[C@H]1Cn2cncc2C[N@H+](CCOCc2ccccc2)C1 ZINC000096216736 402070635 /nfs/dbraw/zinc/07/06/35/402070635.db2.gz GFJODYRFQOVOBB-QGZVFWFLSA-N 1 0 315.417 2.178 40 0 DEABRO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(C(=O)C1CC=CC1)C2 ZINC000096218461 402071045 /nfs/dbraw/zinc/07/10/45/402071045.db2.gz GIGODZHKBOZAEJ-PKOBYXMFSA-N 1 0 318.461 2.160 40 0 DEABRO Cn1cncc1C[N@@H+]1CCC[C@]2(CCC(=O)N2CC2CC2)CC1 ZINC000096217956 402071564 /nfs/dbraw/zinc/07/15/64/402071564.db2.gz DJQFITRUFHTBPW-SFHVURJKSA-N 1 0 316.449 2.177 40 0 DEABRO Cc1nc(CN2C[C@@H]3C[N@H+](Cc4ccoc4)C[C@@H]3C2=O)cs1 ZINC000096245103 402073733 /nfs/dbraw/zinc/07/37/33/402073733.db2.gz MOVUSFGGEIDCGO-ZFWWWQNUSA-N 1 0 317.414 2.135 40 0 DEABRO COc1ccc(C[N@@H+]2C[C@H]3CN(c4cccnc4)C(=O)[C@H]3C2)cc1 ZINC000096245191 402073932 /nfs/dbraw/zinc/07/39/32/402073932.db2.gz RHLCINPIWZPGFK-YJBOKZPZSA-N 1 0 323.396 2.185 40 0 DEABRO Cc1ccc(C[NH+]2C[C@@H]3CN(C(=O)c4ccncc4)C[C@H]3C2)o1 ZINC000096245564 402074089 /nfs/dbraw/zinc/07/40/89/402074089.db2.gz HMANMJYMTFODIK-HZPDHXFCSA-N 1 0 311.385 2.187 40 0 DEABRO Cc1cccc(CN2C[C@@H]3C[N@H+](Cc4ccncc4)C[C@@H]3C2=O)c1 ZINC000096245283 402074270 /nfs/dbraw/zinc/07/42/70/402074270.db2.gz RNGUTZYFZARXHB-OALUTQOASA-N 1 0 321.424 2.480 40 0 DEABRO c1ccn(C[C@@H]2CC[C@@H]3[C@@H]2OCC[N@@H+]3CC2CCOCC2)c1 ZINC000096250194 402074781 /nfs/dbraw/zinc/07/47/81/402074781.db2.gz OIKWPODUUSYQHE-RCCFBDPRSA-N 1 0 304.434 2.394 40 0 DEABRO c1csc(C[N@@H+]2CCC3(C2)CCN(c2ncccn2)CC3)n1 ZINC000096157445 402063406 /nfs/dbraw/zinc/06/34/06/402063406.db2.gz WSPJYXPJPGYUSV-UHFFFAOYSA-N 1 0 315.446 2.426 40 0 DEABRO CO[C@H]1COC2(C1)CC[NH+](Cc1ccc3c(c1)OCO3)CC2 ZINC000096158773 402063425 /nfs/dbraw/zinc/06/34/25/402063425.db2.gz UXAFQOJQTMFQOJ-CQSZACIVSA-N 1 0 305.374 2.185 40 0 DEABRO Cc1cccc(C[N@@H+]2CC[C@]3(CCN(c4cccnc4)C3=O)C2)n1 ZINC000096159512 402063442 /nfs/dbraw/zinc/06/34/42/402063442.db2.gz OTTZLVYVZNLZSO-IBGZPJMESA-N 1 0 322.412 2.414 40 0 DEABRO Cc1cnc(N2CCC3(C[C@@H]([NH+]4CCCC4)CO3)CC2)nc1 ZINC000096158646 402063555 /nfs/dbraw/zinc/06/35/55/402063555.db2.gz DKAKZNWSVFFPMY-OAHLLOKOSA-N 1 0 302.422 2.009 40 0 DEABRO CC(C)CC[N@@H+]1CCc2n[nH]c(C(=O)N3CCC[C@@H]3C)c2C1 ZINC000096187413 402066147 /nfs/dbraw/zinc/06/61/47/402066147.db2.gz YDSCSSZCFWCLLG-ZDUSSCGKSA-N 1 0 304.438 2.438 40 0 DEABRO Cn1ncc2c1[C@@H](COCC1CC1)C[N@H+](CC1CCOCC1)C2 ZINC000096198319 402067507 /nfs/dbraw/zinc/06/75/07/402067507.db2.gz VIHLYVHBBBLXNF-QGZVFWFLSA-N 1 0 319.449 2.173 40 0 DEABRO Cn1cc(CN2CC3(C2)CC[N@H+](Cc2ccsc2)C3)cn1 ZINC000096202754 402068667 /nfs/dbraw/zinc/06/86/67/402068667.db2.gz YLSRIVOVFLWGFG-UHFFFAOYSA-N 1 0 302.447 2.190 40 0 DEABRO CCc1ccc(C[NH+]2CCC3(CC2)OCC(=O)N(C)[C@@H]3C)o1 ZINC000096201503 402068753 /nfs/dbraw/zinc/06/87/53/402068753.db2.gz NUSBBEJMOQTPHP-CYBMUJFWSA-N 1 0 306.406 2.054 40 0 DEABRO COc1ccc(CC[N@H+]2CCO[C@H]3[C@@H](OC)CC[C@@H]32)cc1OC ZINC000097953722 402133933 /nfs/dbraw/zinc/13/39/33/402133933.db2.gz XPOYLTTYFFQYJI-QILLFSRXSA-N 1 0 321.417 2.125 40 0 DEABRO CCC[NH+](CCC)CCCNC(=O)C(=O)Nc1ccccc1 ZINC000102758555 402171896 /nfs/dbraw/zinc/17/18/96/402171896.db2.gz ZDNZKENVRVKOHZ-UHFFFAOYSA-N 1 0 305.422 2.253 40 0 DEABRO Cn1cc(C[N@@H+]2CC[C@@]3(C[C@@H](Nc4ccccc4)CO3)C2)cn1 ZINC000107225895 402228342 /nfs/dbraw/zinc/22/83/42/402228342.db2.gz OAOYSQIVQKIEIQ-QZTJIDSGSA-N 1 0 312.417 2.266 40 0 DEABRO Cc1cccnc1C[NH+]1CCC2(CC(NC(=O)N(C)C)C2)CC1 ZINC000108528484 402255622 /nfs/dbraw/zinc/25/56/22/402255622.db2.gz XRXSOPLDKVSEFH-UHFFFAOYSA-N 1 0 316.449 2.406 40 0 DEABRO COC(=O)c1cccc(NC(=S)NCCCn2ccnc2)c1 ZINC000225521374 402319541 /nfs/dbraw/zinc/31/95/41/402319541.db2.gz ZGCOIOZIWZLAAK-UHFFFAOYSA-N 1 0 318.402 2.046 40 0 DEABRO COC[C@@H]1C[N@H+](C)CC12CCN(C(=O)c1occc1C)CC2 ZINC000248135979 402583695 /nfs/dbraw/zinc/58/36/95/402583695.db2.gz OPWBOUFAURYJQH-AWEZNQCLSA-N 1 0 306.406 2.018 40 0 DEABRO CC[NH+](CC)C[C@H]1CN(CC2CCOCC2)Cc2cncn21 ZINC000248253558 402586009 /nfs/dbraw/zinc/58/60/09/402586009.db2.gz NFRKXXNHQQMBIP-KRWDZBQOSA-N 1 0 306.454 2.008 40 0 DEABRO C[N@H+](CCO)[C@H]1CC[C@H](NC(=O)OCc2ccccc2)CC1 ZINC000252517757 402657912 /nfs/dbraw/zinc/65/79/12/402657912.db2.gz QNKSAUBJVRVBBX-WKILWMFISA-N 1 0 306.406 2.148 40 0 DEABRO COc1ncc(C[N@@H+]2CCC[C@H](c3ccc4c[nH]nc4n3)C2)cn1 ZINC000257224108 402705340 /nfs/dbraw/zinc/70/53/40/402705340.db2.gz FAJIVUZKGXXOAQ-AWEZNQCLSA-N 1 0 324.388 2.136 40 0 DEABRO COc1ccc(F)cc1C(=O)N1CCCC[C@H]2C[NH2+]CC[C@H]21 ZINC000257231612 402706330 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CC(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@@H](c2cccc(F)c2)[C@H]([NH3+])C1 ZINC000333760892 403849991 /nfs/dbraw/zinc/84/99/91/403849991.db2.gz AKWZMVZCCUQGGV-NXOAAHMSSA-N 1 0 320.408 2.140 40 0 DEABRO C[NH+](C)CC[C@@H]1CN(C(=O)C2=CCCCC2)Cc2ccnn21 ZINC000306127442 403950591 /nfs/dbraw/zinc/95/05/91/403950591.db2.gz FYRYMCANYZNXQY-MRXNPFEDSA-N 1 0 302.422 2.219 40 0 DEABRO CC(C)Nc1nc(NCc2ccccn2)cc(-c2cccnc2)n1 ZINC000328978405 404188490 /nfs/dbraw/zinc/18/84/90/404188490.db2.gz FYVNMWPJABJHQQ-UHFFFAOYSA-N 1 0 320.400 2.210 40 0 DEABRO c1cc2n(n1)CC[C@@H](COc1cnccn1)[N@@H+](C1CCCC1)C2 ZINC000585098162 405868582 /nfs/dbraw/zinc/86/85/82/405868582.db2.gz VJYVZEBIJAWMJN-INIZCTEOSA-N 1 0 313.405 2.269 40 0 DEABRO Cc1ccsc1C(=O)N1Cc2ccnn2[C@H](CC[NH+](C)C)C1 ZINC000248152512 278995062 /nfs/dbraw/zinc/99/50/62/278995062.db2.gz YALAYJHLBQXJPM-CQSZACIVSA-N 1 0 318.446 2.402 40 0 DEABRO Cc1cnc(NC(=O)CN2CCC[C@@H]3[C@H]2CCCC[N@H+]3C)s1 ZINC000257246755 279017932 /nfs/dbraw/zinc/01/79/32/279017932.db2.gz 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Cc1occc1C(=O)N1C[C@@H]2C[N@@H+](Cc3cccnc3)C[C@@H]2C1 ZINC000096110634 402060581 /nfs/dbraw/zinc/06/05/81/402060581.db2.gz LYCBHSTYXCJRHY-IYBDPMFKSA-N 1 0 311.385 2.187 40 0 DEABRO CC[NH+](CC)CCN1C[C@@H](Oc2cccnc2)[C@H]2OCCC[C@H]21 ZINC000096042452 402048742 /nfs/dbraw/zinc/04/87/42/402048742.db2.gz OCFOYTANFKPUIH-KURKYZTESA-N 1 0 319.449 2.034 40 0 DEABRO Fc1cnc(N[C@@H]2CO[C@@]3(C2)CCC[N@H+](CC2CC2)C3)nc1 ZINC000096048527 402051095 /nfs/dbraw/zinc/05/10/95/402051095.db2.gz OTFFWIMDPFXUBN-GOEBONIOSA-N 1 0 306.385 2.061 40 0 DEABRO COCCN1CCOC[C@]2(CCC[N@H+](Cc3cccs3)C2)C1 ZINC000096049455 402051296 /nfs/dbraw/zinc/05/12/96/402051296.db2.gz SSJAKBHHDFLBNL-QGZVFWFLSA-N 1 0 324.490 2.309 40 0 DEABRO O=C(c1ccsc1)N1C[C@@H]2C[N@@H+](Cc3cccnc3)C[C@@H]2C1 ZINC000096053752 402051806 /nfs/dbraw/zinc/05/18/06/402051806.db2.gz PJMNJSOEGZPWTM-IYBDPMFKSA-N 1 0 313.426 2.347 40 0 DEABRO Cn1cc(CN2CC[C@@H]3C[N@H+](Cc4cccs4)C[C@@H]3C2)cn1 ZINC000096054164 402053075 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JPLIIBIHRUFSDT-IXDOHACOSA-N 1 0 302.418 2.048 40 0 DEABRO Cc1cccc(CN2CC[N@@H+]3C[C@H](OCC4CC4)C[C@H]3C2)n1 ZINC000096183284 402065303 /nfs/dbraw/zinc/06/53/03/402065303.db2.gz UQEOYSQOQUWWGW-ZWKOTPCHSA-N 1 0 301.434 2.075 40 0 DEABRO c1cc(CN2CC[C@H]3[C@H]2CC[N@H+]3CC2CC2)cc2c1OCO2 ZINC000096184395 402065479 /nfs/dbraw/zinc/06/54/79/402065479.db2.gz HHTIYNUBOGDRRG-JKSUJKDBSA-N 1 0 300.402 2.474 40 0 DEABRO Cc1ccc(C[N@H+]2CC[C@H]3[C@H]2CCN3CC(=O)N(C)C)cc1C ZINC000096184389 402065517 /nfs/dbraw/zinc/06/55/17/402065517.db2.gz RZKFFVRGCXUGCS-MSOLQXFVSA-N 1 0 315.461 2.040 40 0 DEABRO CC1(C)[C@H](Cc2cc(CO)on2)C[C@@H]1[NH2+]Cc1ccccn1 ZINC000067889937 402177496 /nfs/dbraw/zinc/17/74/96/402177496.db2.gz WPQQTXSLGHYNIK-WBMJQRKESA-N 1 0 301.390 2.309 40 0 biogenic,in-vitro DEABRO c1coc(C[N@@H+]2CCC[C@]3(C[C@@H](Nc4cnccn4)CO3)C2)c1 ZINC000107228591 402228139 /nfs/dbraw/zinc/22/81/39/402228139.db2.gz FATITTZMVBCXFG-PBHICJAKSA-N 1 0 314.389 2.305 40 0 DEABRO Fc1cnc(N[C@H]2CO[C@]3(CC[N@H+](Cc4ccco4)C3)C2)nc1 ZINC000107226558 402228320 /nfs/dbraw/zinc/22/83/20/402228320.db2.gz YAIUFCVOWDLUER-CZUORRHYSA-N 1 0 318.352 2.054 40 0 DEABRO C[NH+](C)CC[C@@H]1CN(C(=O)Cc2cccs2)Cc2ccnn21 ZINC000248079503 402582393 /nfs/dbraw/zinc/58/23/93/402582393.db2.gz CIGHYLCYLXMLFV-CQSZACIVSA-N 1 0 318.446 2.022 40 0 DEABRO O=C(c1cc2c([nH]c1=O)CCC2)N1CC[NH2+]C[C@@H]1c1ccccc1 ZINC000257241659 402707376 /nfs/dbraw/zinc/70/73/76/402707376.db2.gz HYZNEONCLFOGOU-QGZVFWFLSA-N 1 0 323.396 2.063 40 0 DEABRO Cc1cnc(C[NH+]2CCC(c3ccnc4ccnn43)CC2)cn1 ZINC000257241817 402707826 /nfs/dbraw/zinc/70/78/26/402707826.db2.gz HZSSEKVNCWQWLU-UHFFFAOYSA-N 1 0 308.389 2.207 40 0 DEABRO CNc1cc(C[C@@H]2COCC[N@@H+](C3CCCCC3)C2)ncn1 ZINC000257264234 402709963 /nfs/dbraw/zinc/70/99/63/402709963.db2.gz LTMZDKLYSGKBIS-AWEZNQCLSA-N 1 0 304.438 2.342 40 0 DEABRO c1ccc(O[C@H]2CSC3(C[NH+](CC4CCOCC4)C3)C2)nc1 ZINC000253480459 402667602 /nfs/dbraw/zinc/66/76/02/402667602.db2.gz WWWMHNZBRYASHE-OAHLLOKOSA-N 1 0 320.458 2.447 40 0 DEABRO Cc1noc(C)c1-c1ccc([C@H]2CCCN(C(=O)C[NH3+])C2)nc1 ZINC000257206904 402703208 /nfs/dbraw/zinc/70/32/08/402703208.db2.gz BFJZOXQPVNWNFW-AWEZNQCLSA-N 1 0 314.389 2.018 40 0 DEABRO CCc1noc(CC)c1C[NH2+][C@H]1CCCC[C@@H]1S(C)(=O)=O ZINC000183098326 402738858 /nfs/dbraw/zinc/73/88/58/402738858.db2.gz NVKTUXLOHACSRZ-ZFWWWQNUSA-N 1 0 314.451 2.245 40 0 DEABRO O=S(=O)(NC1CC[NH+](C2CCCCC2)CC1)c1ccoc1 ZINC000285933363 403413545 /nfs/dbraw/zinc/41/35/45/403413545.db2.gz IVAWOSNBLNWMMY-UHFFFAOYSA-N 1 0 312.435 2.355 40 0 DEABRO CC(C)(C[NH2+][C@H]1CCc2cccnc2CC1)C1(O)CCOCC1 ZINC000333797088 403863956 /nfs/dbraw/zinc/86/39/56/403863956.db2.gz XKRNQMJMHFMMKA-INIZCTEOSA-N 1 0 318.461 2.486 40 0 DEABRO COc1cccc(CNc2cc(C3CC3)[nH+]c(NC3CC3)n2)c1 ZINC000329003363 404197079 /nfs/dbraw/zinc/19/70/79/404197079.db2.gz KLSITQUJPVGTEE-UHFFFAOYSA-N 1 0 310.401 2.393 40 0 DEABRO C[N@@H+]1CCCN(C(=O)C2(Cc3ccccc3)CCOCC2)CC1 ZINC000448569476 405421485 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CCN(C[C@H]1CCCN(CC[NH3+])C1)C(=O)OCc1ccccc1 ZINC000079411615 185169989 /nfs/dbraw/zinc/16/99/89/185169989.db2.gz PVSYACXGHKRIOH-KRWDZBQOSA-N 1 0 319.449 2.316 40 0 DEABRO CC(C)[N@H+](CCN)C1CCN(C(=O)OCc2ccccc2)CC1 ZINC000079391832 185168608 /nfs/dbraw/zinc/16/86/08/185168608.db2.gz OEDCDHGRYYBOKC-UHFFFAOYSA-N 1 0 319.449 2.457 40 0 DEABRO COc1cccc(C[NH2+][C@@H]2[C@@H](c3ccccc3)C[C@@H](O)[C@H]2O)c1 ZINC000072321868 191122044 /nfs/dbraw/zinc/12/20/44/191122044.db2.gz GWISBYNYXBBDQT-NCXUSEDFSA-N 1 0 313.397 2.063 40 0 biogenic,in-vitro DEABRO c1cn(-c2nccnc2[C@H]2CCC[N@H+](C3CCOCC3)C2)cn1 ZINC000072350681 191127374 /nfs/dbraw/zinc/12/73/74/191127374.db2.gz YQPVETOZJFUQBO-AWEZNQCLSA-N 1 0 313.405 2.021 40 0 DEABRO Cc1cccnc1Nc1cccc([C@@H]2CCCN2C(=O)C[NH3+])n1 ZINC000072382968 191143281 /nfs/dbraw/zinc/14/32/81/191143281.db2.gz YRWXGPFCYXKMHZ-AWEZNQCLSA-N 1 0 311.389 2.151 40 0 DEABRO c1cncc(C[N@@H+]2CCC[C@@H](c3nnc(-c4cnccn4)o3)C2)c1 ZINC000072390054 191148141 /nfs/dbraw/zinc/14/81/41/191148141.db2.gz OWTPDBRJWXZEAX-CQSZACIVSA-N 1 0 322.372 2.301 40 0 DEABRO Cc1ccccc1CS(=O)(=O)NCCC1CC[NH+](C)CC1 ZINC000173089135 198184181 /nfs/dbraw/zinc/18/41/81/198184181.db2.gz PTORAKLUBWQWME-UHFFFAOYSA-N 1 0 310.463 2.146 40 0 DEABRO CCCC(=O)NC(=S)Nc1ccccc1N1CC[NH+](C)CC1 ZINC000006349620 353996686 /nfs/dbraw/zinc/99/66/86/353996686.db2.gz JKPGKNUOQBBRML-UHFFFAOYSA-N 1 0 320.462 2.052 40 0 DEABRO COC(=O)c1ccc(OC[C@@H](O)C[N@H+]2[C@H](C)CCC[C@@H]2C)cc1 ZINC000004279620 181091406 /nfs/dbraw/zinc/09/14/06/181091406.db2.gz CUFRZKWDNHHNAV-LZWOXQAQSA-N 1 0 321.417 2.476 40 0 DEABRO Cc1cccc(OCC(=O)N2CC[NH+]=Cc3cc(N)ccc32)c1 ZINC000073642417 191335177 /nfs/dbraw/zinc/33/51/77/191335177.db2.gz ODYYGGCARAXHON-UHFFFAOYSA-N 1 0 309.369 2.422 40 0 DEABRO CC[C@@H](C)[N@@H+]1CCC[C@]2(CCC(=O)N2CC(=O)NC(C)C)CC1 ZINC000585100776 357332769 /nfs/dbraw/zinc/33/27/69/357332769.db2.gz WEAYWSTWSSEAGD-QAPCUYQASA-N 1 0 323.481 2.157 40 0 DEABRO CN1CCC([NH2+]C[C@H]2CCC[C@@H](Oc3ccccc3)[C@@H]2O)CC1 ZINC000585287265 357344349 /nfs/dbraw/zinc/34/43/49/357344349.db2.gz WEFZIGIINPJISZ-ATZDWAIDSA-N 1 0 318.461 2.279 40 0 DEABRO Cc1cccc(O[C@@H]2CCC[C@H]([NH2+]C3CCN(C)CC3)[C@H]2O)c1 ZINC000585288669 357344919 /nfs/dbraw/zinc/34/49/19/357344919.db2.gz HCINABUXQXMRDD-IPMKNSEASA-N 1 0 318.461 2.340 40 0 DEABRO Cn1nccc1C[NH2+][C@H]1CC[C@H](Oc2ccc(Cl)cc2)[C@@H]1O ZINC000585284509 357344942 /nfs/dbraw/zinc/34/49/42/357344942.db2.gz LODKKACNJSPVMU-HRCADAONSA-N 1 0 321.808 2.134 40 0 DEABRO COc1ncc(C[N@@H+]2CCC[C@@H](c3ccc4c[nH]nc4n3)C2)cn1 ZINC000257224109 202959792 /nfs/dbraw/zinc/95/97/92/202959792.db2.gz FAJIVUZKGXXOAQ-CQSZACIVSA-N 1 0 324.388 2.136 40 0 DEABRO COc1ccc([C@@H]2C[NH2+]CCN2C(=O)Cc2cccs2)cc1 ZINC000257296661 203020867 /nfs/dbraw/zinc/02/08/67/203020867.db2.gz RDTSTVXEVFMUFR-INIZCTEOSA-N 1 0 316.426 2.472 40 0 DEABRO Cc1nccc(C(=O)N2[C@H]3C[C@@]4(C)[C@@H]2CCCC[C@H]4[N@H+](C)C3)n1 ZINC000257301919 203025486 /nfs/dbraw/zinc/02/54/86/203025486.db2.gz SANXZUTYIAQCLX-JXSMBQFASA-N 1 0 314.433 2.262 40 0 DEABRO C[NH+](C)Cc1ccnc([C@H]2CCCN2Cc2nccs2)n1 ZINC000257323642 203047760 /nfs/dbraw/zinc/04/77/60/203047760.db2.gz WLFYILUPZDJUMH-CYBMUJFWSA-N 1 0 303.435 2.332 40 0 DEABRO COC(=O)CC1CC[NH+](Cc2cc(OC)ccc2OC)CC1 ZINC000015423817 182001706 /nfs/dbraw/zinc/00/17/06/182001706.db2.gz CNKVLCSQUZIQPQ-UHFFFAOYSA-N 1 0 307.390 2.479 40 0 DEABRO Cn1ccnc1CN1C[C@@H]2CCC[N@@H+]2C[C@@H]1Cc1ccccc1 ZINC000019291497 182113734 /nfs/dbraw/zinc/11/37/34/182113734.db2.gz OBXOAQPTPFTUCU-ROUUACIJSA-N 1 0 310.445 2.311 40 0 DEABRO COc1ccc(C[NH+]2CCC(O)(Cn3ccnc3C)CC2)cc1 ZINC000019287976 182112745 /nfs/dbraw/zinc/11/27/45/182112745.db2.gz RKVKJWNONBECRC-UHFFFAOYSA-N 1 0 315.417 2.227 40 0 DEABRO COc1cc(OC)c(OC)cc1CN1C[C@@H]2CCC[N@@H+]2C[C@@H]1C ZINC000019575712 182131076 /nfs/dbraw/zinc/13/10/76/182131076.db2.gz VCQHZJOZCOBRGY-ZFWWWQNUSA-N 1 0 320.433 2.381 40 0 DEABRO Nc1ccccc1OCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000019731913 182138880 /nfs/dbraw/zinc/13/88/80/182138880.db2.gz CQICWIABBXBFQU-UHFFFAOYSA-N 1 0 311.429 2.465 40 0 DEABRO Cc1nn(C)cc1C[N@@H+]1CCC[C@@](C)(C(=O)NC2CCCC2)C1 ZINC000019746712 182142348 /nfs/dbraw/zinc/14/23/48/182142348.db2.gz XTTLINRDLJQKMW-GOSISDBHSA-N 1 0 318.465 2.389 40 0 DEABRO Cc1ccc([C@H](O)C[NH+]2CCN(CCOC(C)C)CC2)c(C)c1 ZINC000022887497 182338878 /nfs/dbraw/zinc/33/88/78/182338878.db2.gz ZHTDPKTZZQZXTH-LJQANCHMSA-N 1 0 320.477 2.379 40 0 DEABRO CCn1ncc(CN(CC[NH+](C)C)Cc2ccncc2)c1C ZINC000022913836 182340307 /nfs/dbraw/zinc/34/03/07/182340307.db2.gz PBHFIPORTXHJIF-UHFFFAOYSA-N 1 0 301.438 2.170 40 0 DEABRO COc1cc(CN(CC[NH+](C)C)Cc2cccnc2)ccc1O ZINC000022931520 182341815 /nfs/dbraw/zinc/34/18/15/182341815.db2.gz JYZRGIUQWNHSQT-UHFFFAOYSA-N 1 0 315.417 2.360 40 0 DEABRO CN1CCN(C(=O)OCc2ccccc2)C[C@H]1C[NH+]1CCCC1 ZINC000022927830 182342018 /nfs/dbraw/zinc/34/20/18/182342018.db2.gz CJZXOTZBKJCQRM-QGZVFWFLSA-N 1 0 317.433 2.035 40 0 DEABRO CC(=O)N1CCN(c2cc(C)c([C@@H]([NH3+])c3ccccc3)cn2)CC1 ZINC000072223742 257123390 /nfs/dbraw/zinc/12/33/90/257123390.db2.gz RKLFEANSMRVKEK-IBGZPJMESA-N 1 0 324.428 2.107 40 0 DEABRO CN(C(=O)c1cccc(OC(F)(F)F)c1)[C@H](C[NH3+])C1CC1 ZINC000261790714 145226794 /nfs/dbraw/zinc/22/67/94/145226794.db2.gz XTHRRIPPHGQXBI-GFCCVEGCSA-N 1 0 302.296 2.395 40 0 DEABRO CC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)Nc1c(C)cc(C)cc1C ZINC000006953112 401734455 /nfs/dbraw/zinc/73/44/55/401734455.db2.gz MXKPRAZZOWXVSW-OAHLLOKOSA-N 1 0 317.433 2.151 40 0 DEABRO CC[C@H](Oc1ccccc1OC)C(=O)NC1CC[NH+](C)CC1 ZINC000113959407 401788762 /nfs/dbraw/zinc/78/87/62/401788762.db2.gz CCBWRAHESHLJJC-AWEZNQCLSA-N 1 0 306.406 2.063 40 0 DEABRO O=C(CC1CC1)NC[C@]12COC[C@H]1C[N@H+](Cc1cccs1)C2 ZINC000096108418 402059465 /nfs/dbraw/zinc/05/94/65/402059465.db2.gz XJPBUNMKLFKGJV-PBHICJAKSA-N 1 0 320.458 2.113 40 0 DEABRO COCCN1C(=O)CC[C@@]12CCC[N@H+](Cc1cccnc1)CC2 ZINC000096047528 402050133 /nfs/dbraw/zinc/05/01/33/402050133.db2.gz KPRGCBJLSDCQAQ-GOSISDBHSA-N 1 0 317.433 2.075 40 0 DEABRO COCCN1C(=O)CC[C@@]12CCC[N@H+](Cc1ccoc1)CC2 ZINC000096047514 402050454 /nfs/dbraw/zinc/05/04/54/402050454.db2.gz BDCKEEBAIICEMO-QGZVFWFLSA-N 1 0 306.406 2.273 40 0 DEABRO Cc1nnc([C@H]2C[C@@H]3CC[N@H+](Cc4c(C)noc4C)C[C@H]3O2)[nH]1 ZINC000096046202 402050459 /nfs/dbraw/zinc/05/04/59/402050459.db2.gz NJPLKFDDNWWHNI-NWANDNLSSA-N 1 0 317.393 2.070 40 0 DEABRO Cc1noc([C@@H]2CC[C@@H]3[C@@H](CC[N@@H+]3Cc3ccccn3)O2)n1 ZINC000096057357 402053570 /nfs/dbraw/zinc/05/35/70/402053570.db2.gz YYJFOJXHMLBHEB-KFWWJZLASA-N 1 0 300.362 2.268 40 0 DEABRO CC(C)N(C)Cc1nnc2n1CC[N@@H+](Cc1cccs1)CC2 ZINC000096058946 402054013 /nfs/dbraw/zinc/05/40/13/402054013.db2.gz DVISKKPBRGMANO-UHFFFAOYSA-N 1 0 319.478 2.238 40 0 DEABRO c1ccc(-c2nnn3c2CO[C@H](C[NH2+]Cc2cccnc2)C3)cc1 ZINC000096061091 402054782 /nfs/dbraw/zinc/05/47/82/402054782.db2.gz AKZHYEDXYWJVDE-MRXNPFEDSA-N 1 0 321.384 2.029 40 0 DEABRO O=C1NC2(C[C@H]1c1ccncc1)CC[NH+](Cc1ccncc1)CC2 ZINC000096061409 402055073 /nfs/dbraw/zinc/05/50/73/402055073.db2.gz QCBANZZMCDXXRH-KRWDZBQOSA-N 1 0 322.412 2.115 40 0 DEABRO COCCC[N@@H+]1CCCC12CCN(c1ccc(C)nn1)CC2 ZINC000096075271 402056995 /nfs/dbraw/zinc/05/69/95/402056995.db2.gz SBOQBAZENJAGGC-UHFFFAOYSA-N 1 0 304.438 2.256 40 0 DEABRO c1csc(C[N@@H+]2CCC[C@@]3(CCN(c4ncccn4)C3)C2)n1 ZINC000096215742 402070587 /nfs/dbraw/zinc/07/05/87/402070587.db2.gz XOJMVTYHJSXNBB-MRXNPFEDSA-N 1 0 315.446 2.426 40 0 DEABRO Cc1ccc(OC[C@H]2CO[C@@H]3C[N@H+](Cc4ccc[nH]4)C[C@H]23)cn1 ZINC000096219573 402071475 /nfs/dbraw/zinc/07/14/75/402071475.db2.gz ROHJZIBWHWETGG-BMGDILEWSA-N 1 0 313.401 2.244 40 0 DEABRO Cn1cc(C[N@@H+]2CC[C@]3(C[C@H](Nc4ccccc4)CO3)C2)cn1 ZINC000096218799 402071569 /nfs/dbraw/zinc/07/15/69/402071569.db2.gz OAOYSQIVQKIEIQ-ROUUACIJSA-N 1 0 312.417 2.266 40 0 DEABRO Cc1cccc(C[N@@H+]2CC[C@]3(CC(=O)N(c4ccccn4)C3)C2)n1 ZINC000096239143 402073245 /nfs/dbraw/zinc/07/32/45/402073245.db2.gz BXUQDXAGMLDNRH-IBGZPJMESA-N 1 0 322.412 2.414 40 0 DEABRO CC(C)[N@@H+]1CCO[C@@H]2CN(C(=O)Cc3cccs3)CC[C@@H]2C1 ZINC000096249581 402075036 /nfs/dbraw/zinc/07/50/36/402075036.db2.gz IDGNPVIJIHWEGP-GDBMZVCRSA-N 1 0 322.474 2.248 40 0 DEABRO CC(C)Nc1nc2c(cc1C(=O)NCC1CC1)CC[N@H+](C)CC2 ZINC000096260464 402075327 /nfs/dbraw/zinc/07/53/27/402075327.db2.gz PFYPOYXLUOZKDE-UHFFFAOYSA-N 1 0 316.449 2.072 40 0 DEABRO Fc1ccc(-c2ncnc3c2CC[N@@H+]([C@@H]2CCOC2)CC3)cc1 ZINC000096255294 402075466 /nfs/dbraw/zinc/07/54/66/402075466.db2.gz KJQWEEMJQNCOKH-OAHLLOKOSA-N 1 0 313.376 2.472 40 0 DEABRO Cc1cccc(CN2CCc3c(C[NH+]4CCCC4)[nH]nc3C2)n1 ZINC000096255857 402075559 /nfs/dbraw/zinc/07/55/59/402075559.db2.gz GMDVTAGFCAXUBR-UHFFFAOYSA-N 1 0 311.433 2.267 40 0 DEABRO Cn1cc(C[N@@H+]2CCc3ncnc(-c4ccccc4)c3CC2)cn1 ZINC000096255354 402075602 /nfs/dbraw/zinc/07/56/02/402075602.db2.gz FSKVPGMQYQUWMY-UHFFFAOYSA-N 1 0 319.412 2.478 40 0 DEABRO C[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(Cc3ccoc3)CC[C@@H]21 ZINC000096185667 402066248 /nfs/dbraw/zinc/06/62/48/402066248.db2.gz WEZHJQPSCVKASP-IKGGRYGDSA-N 1 0 300.406 2.071 40 0 DEABRO CC[N@H+]1Cc2nccn2C[C@@H](COCc2csc(C)n2)C1 ZINC000096188108 402066742 /nfs/dbraw/zinc/06/67/42/402066742.db2.gz SWIURJDSDGYVNY-ZDUSSCGKSA-N 1 0 306.435 2.317 40 0 DEABRO Cn1cc(C[C@H]2[C@H]([NH+](C)C)CCN2Cc2cccs2)cn1 ZINC000096200885 402068055 /nfs/dbraw/zinc/06/80/55/402068055.db2.gz LZICWNCVTHIPSB-CVEARBPZSA-N 1 0 304.463 2.229 40 0 DEABRO COCc1cc(C[C@@H]2C[C@H]([NH2+]C3CCN(C)CC3)C2(C)C)no1 ZINC000067889878 402177456 /nfs/dbraw/zinc/17/74/56/402177456.db2.gz OUEWXYPQCVWYGO-DYVFJYSZSA-N 1 0 321.465 2.462 40 0 biogenic,in-vitro DEABRO CC[N@@H+]1CC[C@@]2(CC(C(=O)NC[C@H](C)c3ccccc3)=NO2)C1 ZINC000107231655 402228257 /nfs/dbraw/zinc/22/82/57/402228257.db2.gz AVDKTJOAGHWAIF-KBXCAEBGSA-N 1 0 315.417 2.147 40 0 DEABRO C(OC[C@@]12CCCO[C@@H]1CC[N@@H+](C1CCOCC1)C2)C1CC1 ZINC000107771384 402240326 /nfs/dbraw/zinc/24/03/26/402240326.db2.gz DVHZQLDZPYBQJF-MSOLQXFVSA-N 1 0 309.450 2.463 40 0 DEABRO CC(=O)N1CCO[C@H]2CC[N@H+](Cc3ccc(C)c(C)c3)C[C@@H]21 ZINC000108532935 402256285 /nfs/dbraw/zinc/25/62/85/402256285.db2.gz GALYKZVUCVQQJF-ROUUACIJSA-N 1 0 302.418 2.125 40 0 DEABRO c1ccc(NC[C@]23COC[C@H]2C[N@H+](Cc2ccncc2)C3)nc1 ZINC000108531529 402256512 /nfs/dbraw/zinc/25/65/12/402256512.db2.gz LCFCPFGTSGKCCC-AEFFLSMTSA-N 1 0 310.401 2.037 40 0 DEABRO CC[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)NCC[NH+](C)C ZINC000224132271 402313639 /nfs/dbraw/zinc/31/36/39/402313639.db2.gz KUELMMZPNMBKMG-QGZVFWFLSA-N 1 0 304.434 2.401 40 0 DEABRO CCOC(=O)c1cccc(NC(=S)NCC[NH+](C)C)c1C ZINC000225404011 402316509 /nfs/dbraw/zinc/31/65/09/402316509.db2.gz GHRVZKUUIHACPY-UHFFFAOYSA-N 1 0 309.435 2.020 40 0 DEABRO Nc1cc(CC[C@H]2CN(Cc3ncccc3F)CCO2)cc[nH+]1 ZINC000257250062 402708011 /nfs/dbraw/zinc/70/80/11/402708011.db2.gz JKVSHGDMQLXZJA-AWEZNQCLSA-N 1 0 316.380 2.032 40 0 DEABRO COCC[N@@H+]1CC[C@@H](c2cc(Nc3nccs3)nc(C)n2)C1 ZINC000257261862 402710171 /nfs/dbraw/zinc/71/01/71/402710171.db2.gz LJBDWFXKEUHJLM-GFCCVEGCSA-N 1 0 319.434 2.421 40 0 DEABRO CNc1cc(C)[nH+]c([C@@H]2CN(c3nc(C)cc(C)n3)CCO2)c1 ZINC000257266151 402710800 /nfs/dbraw/zinc/71/08/00/402710800.db2.gz MBUHTXGTSIVUNL-INIZCTEOSA-N 1 0 313.405 2.416 40 0 DEABRO CNC(=O)[C@@]1(c2cnccn2)CCC[N@@H+]1CC1CCCCC1 ZINC000257279716 402711437 /nfs/dbraw/zinc/71/14/37/402711437.db2.gz OHWKHIDRZLMYQO-KRWDZBQOSA-N 1 0 302.422 2.094 40 0 DEABRO Cc1nc(C2CC[NH+](C(C)C)CC2)cc(N2CCOC2=O)n1 ZINC000257286135 402711598 /nfs/dbraw/zinc/71/15/98/402711598.db2.gz PKLIMCYUOKRBSD-UHFFFAOYSA-N 1 0 304.394 2.329 40 0 DEABRO C[C@H](O)CN1CCN(Sc2nc3ccccc3s2)CC1 ZINC000255189831 402681314 /nfs/dbraw/zinc/68/13/14/402681314.db2.gz SKDNXVOLQGWCHX-NSHDSACASA-N 1 0 309.460 2.302 40 0 DEABRO Cc1nn(C2CCCC2)cc1C[NH2+]CCCN1CCOCC1 ZINC000256054039 402699920 /nfs/dbraw/zinc/69/99/20/402699920.db2.gz USJLILUURCUNAQ-UHFFFAOYSA-N 1 0 306.454 2.119 40 0 DEABRO Cc1cc(Cl)ccc1C(=O)N[C@@H](CO)C[NH+]1CCCCC1 ZINC000288163187 403737518 /nfs/dbraw/zinc/73/75/18/403737518.db2.gz CXJTUMNXLITUAO-CQSZACIVSA-N 1 0 310.825 2.225 40 0 DEABRO Cc1cccc(Cl)c1Nc1cc(C2CC2)nc(NCCO)n1 ZINC000329064003 404217930 /nfs/dbraw/zinc/21/79/30/404217930.db2.gz XHDJVQGYYRWHSR-UHFFFAOYSA-N 1 0 318.808 2.307 40 0 DEABRO O=C(C1CCC1)N1Cc2ccnn2[C@H](CC[NH+]2CCCCC2)C1 ZINC000585095799 405866128 /nfs/dbraw/zinc/86/61/28/405866128.db2.gz LRESHNDAPSPVHF-QGZVFWFLSA-N 1 0 316.449 2.443 40 0 DEABRO CCOC[C@@H]1CCn2cncc2C[N@@H+]1Cc1ccc(CO)cc1 ZINC000585097513 405866325 /nfs/dbraw/zinc/86/63/25/405866325.db2.gz MOSORZGLBLDPDX-KRWDZBQOSA-N 1 0 315.417 2.186 40 0 DEABRO Cc1ccc(N2CCC3(CC2)CC[NH+]([C@@H]2CCOC2)CC3)nn1 ZINC000096158488 274747638 /nfs/dbraw/zinc/74/76/38/274747638.db2.gz OYSIANMZHIQLKA-MRXNPFEDSA-N 1 0 316.449 2.256 40 0 DEABRO O=C(c1c[nH]cn1)N1CCC[C@@H]2[C@H]1CCCC[N@@H+]2CC1CC1 ZINC000257275551 280158422 /nfs/dbraw/zinc/15/84/22/280158422.db2.gz NPVXYTQMCKFAAY-HZPDHXFCSA-N 1 0 302.422 2.279 40 0 DEABRO Cc1nc([C@H]2CCCCN2C(=O)C[NH+](C)C)c2sccn12 ZINC000257322444 293382640 /nfs/dbraw/zinc/38/26/40/293382640.db2.gz WGAGYSVWRDUQMC-GFCCVEGCSA-N 1 0 306.435 2.319 40 0 DEABRO CC(C)N(C(=O)OCc1ccccc1)C1CC[NH+](CCO)CC1 ZINC000079411158 185169890 /nfs/dbraw/zinc/16/98/90/185169890.db2.gz DCSYEJGGQQJNJV-UHFFFAOYSA-N 1 0 320.433 2.490 40 0 DEABRO O=C(OCc1ccccc1)N(C1CC1)[C@@H]1CCC[N@@H+](CCO)C1 ZINC000079411262 185170026 /nfs/dbraw/zinc/17/00/26/185170026.db2.gz RVKFWGKRCHJUPE-QGZVFWFLSA-N 1 0 318.417 2.244 40 0 DEABRO CCN(C[C@H]1CCCC[N@@H+]1CCO)C(=O)OCc1ccccc1 ZINC000079411059 185170048 /nfs/dbraw/zinc/17/00/48/185170048.db2.gz LFFVDBXMNPABBO-QGZVFWFLSA-N 1 0 320.433 2.492 40 0 DEABRO CC[N@H+](CCO)CC1CCN(C(=O)OCc2ccccc2)CC1 ZINC000079391690 185168669 /nfs/dbraw/zinc/16/86/69/185168669.db2.gz NORDBCGMPAZZAP-UHFFFAOYSA-N 1 0 320.433 2.349 40 0 DEABRO COC[C@@H]1CC[N@H+](C)C2(CN(C(=O)c3ccc(F)cc3C)C2)C1 ZINC000306145022 231091827 /nfs/dbraw/zinc/09/18/27/231091827.db2.gz ZVIIFCSOXFKIRM-CQSZACIVSA-N 1 0 320.408 2.317 40 0 DEABRO CNC(=O)[C@@H]1CCC[C@]12CC[N@H+](Cc1ccc3c(c1)CCO3)C2 ZINC000108534946 185520640 /nfs/dbraw/zinc/52/06/40/185520640.db2.gz ICWKIBFULSGUCC-QFBILLFUSA-N 1 0 314.429 2.360 40 0 DEABRO O=C(Nc1ccc(Cl)cn1)c1cnc(C2CC[NH2+]CC2)cn1 ZINC000072365695 191133687 /nfs/dbraw/zinc/13/36/87/191133687.db2.gz XIISTZOGDNQBCO-UHFFFAOYSA-N 1 0 317.780 2.244 40 0 DEABRO Cc1ccccc1CN1CCn2c(nnc2[C@H]2CCCC[NH2+]2)C1 ZINC000072374065 191139671 /nfs/dbraw/zinc/13/96/71/191139671.db2.gz DVZJURAHOFMVKD-MRXNPFEDSA-N 1 0 311.433 2.417 40 0 DEABRO Cc1cccnc1Nc1cccc([C@H]2CCCN2C(=O)C[NH3+])n1 ZINC000072382969 191142387 /nfs/dbraw/zinc/14/23/87/191142387.db2.gz YRWXGPFCYXKMHZ-CQSZACIVSA-N 1 0 311.389 2.151 40 0 DEABRO c1cnc(-c2nnc([C@H]3CCC[N@@H+](Cc4ccncc4)C3)o2)cn1 ZINC000072390051 191148315 /nfs/dbraw/zinc/14/83/15/191148315.db2.gz CZEPXXZXYVYCHT-AWEZNQCLSA-N 1 0 322.372 2.301 40 0 DEABRO C[N@@H+]1CCC[C@@H](C(=O)Nc2ccccc2C(=O)NC(C)(C)C)C1 ZINC000073034459 191271568 /nfs/dbraw/zinc/27/15/68/191271568.db2.gz KSUWGJLLSBNCFC-CYBMUJFWSA-N 1 0 317.433 2.495 40 0 DEABRO Cc1n[nH]c(C)c1[C@@H](C)NC(=O)C1C[NH+](C2CCCCC2)C1 ZINC000019747441 354045492 /nfs/dbraw/zinc/04/54/92/354045492.db2.gz BSVISNTYSDYFFE-LLVKDONJSA-N 1 0 304.438 2.468 40 0 DEABRO CC[NH+](CC)CCOC(=O)c1cn(Cc2ccccc2)nc1N ZINC000005453517 181245373 /nfs/dbraw/zinc/24/53/73/181245373.db2.gz HALIKEGOJQHSIY-UHFFFAOYSA-N 1 0 316.405 2.012 40 0 DEABRO [NH3+]C[C@H]1[C@H](c2ccc(F)cc2)[C@@H]1S(=O)(=O)c1ccccc1 ZINC000218627237 356273674 /nfs/dbraw/zinc/27/36/74/356273674.db2.gz BCMYXZPPJCITDG-HRCADAONSA-N 1 0 305.374 2.340 40 0 DEABRO O=C1N(c2ncccn2)C[C@@]12CCC[N@H+](CC1CCCCC1)C2 ZINC000585099509 357332847 /nfs/dbraw/zinc/33/28/47/357332847.db2.gz PHMZNESIOWHLBX-SFHVURJKSA-N 1 0 314.433 2.486 40 0 DEABRO Cc1noc(C)c1CN1C[C@@]2(CCC[N@@H+](CC(C)C)C2)C1=O ZINC000585099466 357333042 /nfs/dbraw/zinc/33/30/42/357333042.db2.gz LWTPBLGJBVEEJU-KRWDZBQOSA-N 1 0 305.422 2.372 40 0 DEABRO COC[C@@H]1CN(C(=O)c2ccco2)CC12CC[NH+](C(C)C)CC2 ZINC000585102916 357334057 /nfs/dbraw/zinc/33/40/57/357334057.db2.gz IFTLGLWTCYHKFA-HNNXBMFYSA-N 1 0 320.433 2.489 40 0 DEABRO Cc1ccc(C)c2[nH]c(=O)c(C[NH2+]C[C@H](O)COC(C)C)cc12 ZINC000585292958 357345703 /nfs/dbraw/zinc/34/57/03/357345703.db2.gz QFSMNAKGEFLXKX-HNNXBMFYSA-N 1 0 318.417 2.433 40 0 DEABRO CCOc1ccc2[nH]c(=O)c(C[NH2+]C[C@@H]3CCCO3)cc2c1 ZINC000006493512 181345538 /nfs/dbraw/zinc/34/55/38/181345538.db2.gz RIXUAIMNEPAEHA-HNNXBMFYSA-N 1 0 302.374 2.195 40 0 DEABRO C[NH2+]CCN(C)c1nc(Cl)nc(Nc2cccc(F)c2)n1 ZINC000199800623 201425735 /nfs/dbraw/zinc/42/57/35/201425735.db2.gz IPZPVUXMENQOIK-UHFFFAOYSA-N 1 0 310.764 2.063 40 0 DEABRO C[NH2+]CC(=O)N1CCC[C@@H](Cc2ccnc3ccncc23)CC1 ZINC000257255571 202989382 /nfs/dbraw/zinc/98/93/82/202989382.db2.gz KHZYIXCPVZDUAN-CQSZACIVSA-N 1 0 312.417 2.020 40 0 DEABRO c1cc([C@@H]2CCC[N@@H+](Cc3ccnc(N4CCCC4)n3)C2)ncn1 ZINC000257296679 203021379 /nfs/dbraw/zinc/02/13/79/203021379.db2.gz RDWRGVAFOQQTIS-OAHLLOKOSA-N 1 0 324.432 2.246 40 0 DEABRO Cc1[nH+]cc2cncc(C3CCN(C(=O)c4ccncc4)CC3)n12 ZINC000257329869 203053473 /nfs/dbraw/zinc/05/34/73/203053473.db2.gz XLVJDEMRONNBQE-UHFFFAOYSA-N 1 0 321.384 2.453 40 0 DEABRO Cc1cc2nccc(C3CC[NH+](C4CCN(C)CC4)CC3)n2n1 ZINC000257341726 203064272 /nfs/dbraw/zinc/06/42/72/203064272.db2.gz ZLSGFKHHACLFFN-UHFFFAOYSA-N 1 0 313.449 2.311 40 0 DEABRO Cc1occc1C(=O)N1CCC2(C[C@@H]([NH+]3CCCC3)CO2)CC1 ZINC000096158648 193556178 /nfs/dbraw/zinc/55/61/78/193556178.db2.gz YYWRKVDDFQCBRD-OAHLLOKOSA-N 1 0 318.417 2.448 40 0 DEABRO Cc1csc([C@H](Cc2cccs2)NC(=O)C[NH+](C)C)n1 ZINC000019240042 182111950 /nfs/dbraw/zinc/11/19/50/182111950.db2.gz UGFWDVYOYZAFCM-LBPRGKRZSA-N 1 0 309.460 2.475 40 0 DEABRO O=C(CC1CCCC1)N1CCC[C@H]1c1ncc2c(n1)CC[NH2+]C2 ZINC000019292343 182113372 /nfs/dbraw/zinc/11/33/72/182113372.db2.gz QUVVBGFQLNKFON-INIZCTEOSA-N 1 0 314.433 2.366 40 0 DEABRO CC(C)(C)CC(=O)N1CCc2nc([C@@H]3CCC[NH2+]3)ncc2C1 ZINC000019082712 182104651 /nfs/dbraw/zinc/10/46/51/182104651.db2.gz IRMANXDNPSQPHS-AWEZNQCLSA-N 1 0 302.422 2.222 40 0 DEABRO CC[N@@H+]1CCC[C@H]1CN(Cc1cnn(C)c1)Cc1ccncc1 ZINC000019527224 182128235 /nfs/dbraw/zinc/12/82/35/182128235.db2.gz HYPOUCDLPLUCTQ-SFHVURJKSA-N 1 0 313.449 2.302 40 0 DEABRO Cn1nc2c(c1C(=O)NCC(C)(C)[NH+]1CCCCC1)CCCC2 ZINC000019656527 182134654 /nfs/dbraw/zinc/13/46/54/182134654.db2.gz HXKTUUZTIMKMQU-UHFFFAOYSA-N 1 0 318.465 2.293 40 0 DEABRO Cn1cc(C[N@@H+]2CCC[C@](C)(C(=O)NC3CCCC3)C2)cn1 ZINC000019746649 182142204 /nfs/dbraw/zinc/14/22/04/182142204.db2.gz TVGSFGVRLDSYPV-KRWDZBQOSA-N 1 0 304.438 2.081 40 0 DEABRO Cc1nc([C@H]2CC[N@H+](Cc3ccc(F)cc3)C2)ncc1C(N)=O ZINC000019758151 182144787 /nfs/dbraw/zinc/14/47/87/182144787.db2.gz WQZFPLXZBBMGBO-ZDUSSCGKSA-N 1 0 314.364 2.013 40 0 DEABRO Cc1cc(OC[C@@H](O)C[NH2+]C(C)(C)CO)cc(C)c1Cl ZINC000026781282 182453515 /nfs/dbraw/zinc/45/35/15/182453515.db2.gz RVWSTWPWXLVXCP-LBPRGKRZSA-N 1 0 301.814 2.057 40 0 DEABRO O=C(C[C@H](c1ccccc1)[C@H]1CCCC[NH2+]1)N1CCOCC1 ZINC000072208333 257128227 /nfs/dbraw/zinc/12/82/27/257128227.db2.gz YRTFWNXRJFIOKG-IAGOWNOFSA-N 1 0 302.418 2.161 40 0 DEABRO O=c1[nH]c(-c2cnccn2)nc2c1C[N@H+](C[C@@H]1CC=CCC1)CC2 ZINC000013268141 285399919 /nfs/dbraw/zinc/39/99/19/285399919.db2.gz NXSCWPYZPIHELR-CYBMUJFWSA-N 1 0 323.400 2.354 40 0 DEABRO C[NH+](C)CCCNC(=S)Nc1ccc(N2CCCC2=O)cc1 ZINC000007065190 401736632 /nfs/dbraw/zinc/73/66/32/401736632.db2.gz ZNICEEDEGCIUKR-UHFFFAOYSA-N 1 0 320.462 2.052 40 0 DEABRO COc1cccc2c(NCCCCCO[N+](=O)[O-])cc[n+](C)c12 ZINC000001572313 401708530 /nfs/dbraw/zinc/70/85/30/401708530.db2.gz JTMDGNGORYPZAU-UHFFFAOYSA-O 1 0 320.369 2.463 40 0 DEABRO CC(C)(C)[NH2+]C[C@@H](O)COc1ccccc1OC[C@H]1CCCO1 ZINC000001846354 401710877 /nfs/dbraw/zinc/71/08/77/401710877.db2.gz AKLNLVOZXMQGSI-HUUCEWRRSA-N 1 0 323.433 2.372 40 0 in-man DEABRO CC(C)(CO)[NH2+]C[C@@H](O)COc1ccc(Cl)cc1Cl ZINC000002679983 401716480 /nfs/dbraw/zinc/71/64/80/401716480.db2.gz XRNMNYDCVWQBLE-SNVBAGLBSA-N 1 0 308.205 2.094 40 0 DEABRO O=C(NC1CC[NH+](CC2(c3ccccc3)CC2)CC1)c1ccn[nH]1 ZINC000012087752 401778813 /nfs/dbraw/zinc/77/88/13/401778813.db2.gz PKZSIJVYAPBLHJ-UHFFFAOYSA-N 1 0 324.428 2.336 40 0 DEABRO COc1ccc(C2(C[NH+]3CCC(NC(C)=O)CC3)CC2)cc1 ZINC000012219489 401781870 /nfs/dbraw/zinc/78/18/70/401781870.db2.gz QDYFVWWOAPDHOH-UHFFFAOYSA-N 1 0 302.418 2.327 40 0 DEABRO COc1ccc(OC)c(NC(=O)N2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000027932334 401848877 /nfs/dbraw/zinc/84/88/77/401848877.db2.gz QFIWEWCTDNJTFH-GFCCVEGCSA-N 1 0 305.378 2.016 40 0 DEABRO CCOc1ccc(CCCNC(=O)[C@@H]2CCC[N@H+](C)C2)cc1 ZINC000078578615 401856824 /nfs/dbraw/zinc/85/68/24/401856824.db2.gz KDEWRYGUCOAFMP-MRXNPFEDSA-N 1 0 304.434 2.476 40 0 DEABRO OCC[NH2+]CCNCc1ccc(-c2ccc(F)c(Cl)c2)o1 ZINC000032578090 401880083 /nfs/dbraw/zinc/88/00/83/401880083.db2.gz SRPZBMZFZAZYDU-UHFFFAOYSA-N 1 0 312.772 2.411 40 0 DEABRO CC[NH+]1CCN([C@@H](c2nnnn2C2CCCC2)C(C)C)CC1 ZINC000035291300 401898587 /nfs/dbraw/zinc/89/85/87/401898587.db2.gz RQZPCTCIQPWBPH-OAHLLOKOSA-N 1 0 306.458 2.123 40 0 DEABRO CN1CCC([N@@H+]2CC[C@H](c3nnc(-c4ccco4)o3)C2)CC1 ZINC000049169505 402013130 /nfs/dbraw/zinc/01/31/30/402013130.db2.gz YEBDUDGOHHWOQB-LBPRGKRZSA-N 1 0 302.378 2.213 40 0 biogenic,in-vitro DEABRO C[C@H]([NH3+])c1nnc(-c2ccc(I)cc2)[nH]1 ZINC000095534666 402034117 /nfs/dbraw/zinc/03/41/17/402034117.db2.gz XTNMKICTXIAOQT-LURJTMIESA-N 1 0 314.130 2.096 40 0 DEABRO c1cc(C[N@@H+]2CC[C@]3(C[C@H](Nc4ncccn4)CO3)C2)cs1 ZINC000096047715 402051317 /nfs/dbraw/zinc/05/13/17/402051317.db2.gz PABDGCHCXFCCED-HOCLYGCPSA-N 1 0 316.430 2.384 40 0 DEABRO Cc1nc(CN2C[C@@H]3C[NH+](Cc4ccccn4)C[C@H]3C2)cs1 ZINC000096053799 402051506 /nfs/dbraw/zinc/05/15/06/402051506.db2.gz LAABDHUCMMQKMQ-GJZGRUSLSA-N 1 0 314.458 2.410 40 0 DEABRO Cc1nc(CN2C[C@@H]3C[N@@H+](Cc4ccccn4)C[C@@H]3C2)cs1 ZINC000096053797 402051899 /nfs/dbraw/zinc/05/18/99/402051899.db2.gz LAABDHUCMMQKMQ-GASCZTMLSA-N 1 0 314.458 2.410 40 0 DEABRO c1csc(CN2C[C@@H]3C[NH+](Cc4ccccn4)C[C@H]3C2)n1 ZINC000096053789 402052050 /nfs/dbraw/zinc/05/20/50/402052050.db2.gz VLDMOJGVVURWNQ-KBPBESRZSA-N 1 0 300.431 2.102 40 0 DEABRO COc1ccc(C[NH+]2C[C@@H]3CN(c4ncccn4)C[C@H]3C2)cc1 ZINC000096053996 402052569 /nfs/dbraw/zinc/05/25/69/402052569.db2.gz SSFPKVYRMINHME-HZPDHXFCSA-N 1 0 310.401 2.053 40 0 DEABRO C[NH+](C)C[C@H]1Cn2ccnc2CN(Cc2ccc(F)cc2)C1 ZINC000096059178 402053965 /nfs/dbraw/zinc/05/39/65/402053965.db2.gz VOTKMOHPQUYEMY-OAHLLOKOSA-N 1 0 302.397 2.216 40 0 DEABRO c1cc(C[N@@H+]2CCc3ncnc(N4CCCC4)c3CC2)ccn1 ZINC000096058722 402054313 /nfs/dbraw/zinc/05/43/13/402054313.db2.gz CKASKVJHJHPDGF-UHFFFAOYSA-N 1 0 309.417 2.073 40 0 DEABRO CC(C)[N@@H+]1CC[C@H]2OCC[C@@]2(C(=O)NCc2cccs2)C1 ZINC000096064865 402055233 /nfs/dbraw/zinc/05/52/33/402055233.db2.gz GHVHMALSAIOZOI-GDBMZVCRSA-N 1 0 308.447 2.254 40 0 DEABRO C[NH+](C)[C@@H]1COC2(C1)CCN(C(=O)c1cccc(F)c1)CC2 ZINC000096063050 402055674 /nfs/dbraw/zinc/05/56/74/402055674.db2.gz BGKXJFLOZNDYQD-HNNXBMFYSA-N 1 0 306.381 2.151 40 0 DEABRO COCCN1CCOCC12CC[NH+](Cc1cccc(F)c1)CC2 ZINC000096074605 402056852 /nfs/dbraw/zinc/05/68/52/402056852.db2.gz AXHXVSFQQPWVOY-UHFFFAOYSA-N 1 0 322.424 2.139 40 0 DEABRO CC(C)[N@@H+]1CCOC[C@]2(CCCN(Cc3nccs3)C2)C1 ZINC000096076239 402057156 /nfs/dbraw/zinc/05/71/56/402057156.db2.gz XPDUEKQWNZVOSH-INIZCTEOSA-N 1 0 309.479 2.466 40 0 DEABRO O=C(C[C@@H]1OC[C@H]2C[N@H+](Cc3ccoc3)CC[C@H]21)N1CCCC1 ZINC000096206228 402069503 /nfs/dbraw/zinc/06/95/03/402069503.db2.gz PBJZQUMZRZGSRP-ZACQAIPSSA-N 1 0 318.417 2.129 40 0 DEABRO O=C1CCCN1[C@@H]1CCO[C@]2(CC[N@H+](Cc3cccs3)C2)C1 ZINC000096207060 402069579 /nfs/dbraw/zinc/06/95/79/402069579.db2.gz FNXRXHLIJIPFPX-RHSMWYFYSA-N 1 0 320.458 2.494 40 0 DEABRO CN(C)C(=O)NC[C@@H]1CCC[C@]2(CC[N@@H+](C3CCCC3)C2)O1 ZINC000096208414 402069771 /nfs/dbraw/zinc/06/97/71/402069771.db2.gz NJMFXMAAKBTFFQ-DOTOQJQBSA-N 1 0 309.454 2.214 40 0 DEABRO Fc1cnc(N[C@@H]2CO[C@@]3(CC[N@H+](Cc4ccco4)C3)C2)nc1 ZINC000096219590 402071129 /nfs/dbraw/zinc/07/11/29/402071129.db2.gz YAIUFCVOWDLUER-BBRMVZONSA-N 1 0 318.352 2.054 40 0 DEABRO COC[C@@H]1C[N@H+](C)C[C@@]12CCN(Cc1ccccc1OC)C2 ZINC000096220639 402071700 /nfs/dbraw/zinc/07/17/00/402071700.db2.gz GMDDLPOGNOPVNQ-FUHWJXTLSA-N 1 0 304.434 2.095 40 0 DEABRO Cc1cccc(CN2CCC3(CC2)COCC[N@@H+]3CC2CC2)n1 ZINC000096226176 402072468 /nfs/dbraw/zinc/07/24/68/402072468.db2.gz YQGLGMJMOGVJJM-UHFFFAOYSA-N 1 0 315.461 2.467 40 0 DEABRO Cc1ccc(C[N@@H+]2CCc3ncnc(-c4cnn(C)c4)c3CC2)o1 ZINC000096255191 402074580 /nfs/dbraw/zinc/07/45/80/402074580.db2.gz GKSDBEURXVHEAU-UHFFFAOYSA-N 1 0 323.400 2.379 40 0 DEABRO CC(C)CNc1nc2c(cc1C(=O)NC(C)C)CC[N@H+](C)CC2 ZINC000096260531 402075639 /nfs/dbraw/zinc/07/56/39/402075639.db2.gz JZAGMRLEZLSGLH-UHFFFAOYSA-N 1 0 318.465 2.318 40 0 DEABRO [NH3+]Cc1nnc2ccc(-c3ccc(Br)cc3)nn21 ZINC000058021797 402098203 /nfs/dbraw/zinc/09/82/03/402098203.db2.gz CKQXBPTVNSVKEM-UHFFFAOYSA-N 1 0 304.151 2.013 40 0 DEABRO Cc1cccc(CN2CC[C@@H]3[C@@H]2CC[N@@H+]3CC2CCOCC2)n1 ZINC000096184762 402065211 /nfs/dbraw/zinc/06/52/11/402065211.db2.gz DZZWTRHPYZMMOQ-MOPGFXCFSA-N 1 0 315.461 2.465 40 0 DEABRO COc1cc(N2CC[C@@H]3[C@@H]2CC[N@@H+]3Cc2ccsc2)ncn1 ZINC000096184775 402065410 /nfs/dbraw/zinc/06/54/10/402065410.db2.gz KXZHYHMYFYTQHI-KGLIPLIRSA-N 1 0 316.430 2.400 40 0 DEABRO c1ccc(C[N@@H+]2C[C@H](Oc3ccccn3)[C@H]3OCCC[C@H]32)nc1 ZINC000096187182 402065705 /nfs/dbraw/zinc/06/57/05/402065705.db2.gz JFXFJJPXTPSPLY-RYRKJORJSA-N 1 0 311.385 2.287 40 0 DEABRO COCCN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2Cc1cc(C)c(C)o1 ZINC000096186250 402066183 /nfs/dbraw/zinc/06/61/83/402066183.db2.gz ODZKNBGHPXPTLI-HZPDHXFCSA-N 1 0 306.406 2.108 40 0 DEABRO O=C(c1cccs1)N1CC[N@@H+]2C[C@@H](OCC3CC3)C[C@H]2C1 ZINC000107746678 402239648 /nfs/dbraw/zinc/23/96/48/402239648.db2.gz XSFOGXJYXCNAIR-KBPBESRZSA-N 1 0 306.431 2.073 40 0 DEABRO C[NH+](C)Cc1ccc(C(=O)N2CCC[C@H](c3cc[nH]n3)C2)cc1 ZINC000170678679 402513207 /nfs/dbraw/zinc/51/32/07/402513207.db2.gz UZSQBODZFADJDY-INIZCTEOSA-N 1 0 312.417 2.491 40 0 DEABRO CNc1cnc(C[C@H]2CCC[N@H+](Cc3cncn3C)CC2)cn1 ZINC000257208212 402703382 /nfs/dbraw/zinc/70/33/82/402703382.db2.gz BLEJRFXCUHLBPM-AWEZNQCLSA-N 1 0 314.437 2.097 40 0 DEABRO C[NH+](C)Cc1ccnc([C@@H]2CCCN2Cc2cscn2)n1 ZINC000257210585 402703975 /nfs/dbraw/zinc/70/39/75/402703975.db2.gz BVGKPZPSHDYXSQ-AWEZNQCLSA-N 1 0 303.435 2.332 40 0 DEABRO Cc1cc([C@@H]2CN(C(=O)C[NH+]3CCC(C)CC3)CCO2)ccn1 ZINC000257225033 402705366 /nfs/dbraw/zinc/70/53/66/402705366.db2.gz FENIQQKZTVSTGS-KRWDZBQOSA-N 1 0 317.433 2.022 40 0 DEABRO [NH3+]C1(C(=O)N2CCC(c3cncc(Cl)n3)CC2)CCCCC1 ZINC000257224751 402705454 /nfs/dbraw/zinc/70/54/54/402705454.db2.gz FDFBIQPJNLCRLH-UHFFFAOYSA-N 1 0 322.840 2.498 40 0 DEABRO Cc1nc([C@H]2CC[NH2+]C2)nc2c1CCC(=O)N2Cc1ccccc1 ZINC000257227191 402705840 /nfs/dbraw/zinc/70/58/40/402705840.db2.gz FOBFZFSLNBSZBP-HNNXBMFYSA-N 1 0 322.412 2.341 40 0 DEABRO C[C@]12C[C@@H](c3ccc(F)cc3)[N@H+](CCO)[C@H]1CCCCC(=O)N2 ZINC000257233862 402706934 /nfs/dbraw/zinc/70/69/34/402706934.db2.gz GRBZTMMLDNPUJE-BQFCYCMXSA-N 1 0 320.408 2.382 40 0 DEABRO C[NH+](C)Cc1ccnc([C@@H]2CCCN2Cc2cncs2)n1 ZINC000257262242 402710286 /nfs/dbraw/zinc/71/02/86/402710286.db2.gz LKRYEFSNUBSYMY-AWEZNQCLSA-N 1 0 303.435 2.332 40 0 DEABRO CCn1ncc(C[NH2+]CCc2ccc(OC)c(OC)c2)c1F ZINC000256053742 402700167 /nfs/dbraw/zinc/70/01/67/402700167.db2.gz SQMGYWUOWXUIJM-UHFFFAOYSA-N 1 0 307.369 2.392 40 0 DEABRO COc1cccc(C[C@@H]2CC3(CO2)CC[NH+](CCO)CC3)c1 ZINC000257203464 402702381 /nfs/dbraw/zinc/70/23/81/402702381.db2.gz AQEFDWQELPUSBU-QGZVFWFLSA-N 1 0 305.418 2.101 40 0 DEABRO O=C(CCc1cc(Cl)no1)N1CC[NH2+]C[C@@H]1c1ccccc1 ZINC000257204319 402702553 /nfs/dbraw/zinc/70/25/53/402702553.db2.gz ATYKCBSCSRWKRT-CQSZACIVSA-N 1 0 319.792 2.434 40 0 DEABRO Cc1ccc(Nc2cc(C3CC3)nc(NCCCO)n2)cc1F ZINC000329068605 404219887 /nfs/dbraw/zinc/21/98/87/404219887.db2.gz YRAKFWXNZBJKMY-UHFFFAOYSA-N 1 0 316.380 2.183 40 0 DEABRO Cc1cc(C)cc(Nc2cc(C3CC3)nc(NCCCO)n2)c1 ZINC000328969051 404183844 /nfs/dbraw/zinc/18/38/44/404183844.db2.gz DCEWMHDZLJAHKU-UHFFFAOYSA-N 1 0 312.417 2.353 40 0 DEABRO Cc1ccc(OCc2nnc3n2CC[N@@H+](C(C)C)[C@H](C)C3)cn1 ZINC000585098032 405868621 /nfs/dbraw/zinc/86/86/21/405868621.db2.gz QRMAIKAWCGDYFI-CQSZACIVSA-N 1 0 315.421 2.216 40 0 DEABRO COc1ccccc1CN1CC[C@@H]2OCC[N@H+](CC3CC3)[C@H]2C1 ZINC000108529353 278049499 /nfs/dbraw/zinc/04/94/99/278049499.db2.gz HRMQYJMHOCUSME-HKUYNNGSSA-N 1 0 316.445 2.380 40 0 DEABRO Cc1ccc2nc(C(=O)N3CC[NH2+]C[C@@H]3c3ccccc3)cn2c1 ZINC000257255928 281149848 /nfs/dbraw/zinc/14/98/48/281149848.db2.gz KJKVPZNMEBXBGZ-QGZVFWFLSA-N 1 0 320.396 2.429 40 0 DEABRO O=C1c2cccn2[C@H]2C[N@@H+](CC3CC3)C[C@H]2N1Cc1ccccn1 ZINC000306144906 534854132 /nfs/dbraw/zinc/85/41/32/534854132.db2.gz ZRXGLSYBIKUZQH-ZWKOTPCHSA-N 1 0 322.412 2.174 40 0 DEABRO C[N@H+](CCO)C[C@@H]1CCCCN1C(=O)OCc1ccccc1 ZINC000079391652 185168521 /nfs/dbraw/zinc/16/85/21/185168521.db2.gz JBNIHBYFFMHBSP-INIZCTEOSA-N 1 0 306.406 2.102 40 0 DEABRO CC[N@H+](CCO)C[C@H]1CCCN1C(=O)OCc1ccccc1 ZINC000079391673 185168539 /nfs/dbraw/zinc/16/85/39/185168539.db2.gz KEULSGIYHYHLER-MRXNPFEDSA-N 1 0 306.406 2.102 40 0 DEABRO O=C(OCc1ccccc1)N1CCC([N@H+](CCO)C2CC2)CC1 ZINC000079391746 185168649 /nfs/dbraw/zinc/16/86/49/185168649.db2.gz ONBKGVHAKFGUJH-UHFFFAOYSA-N 1 0 318.417 2.244 40 0 DEABRO c1ccc(CN2CC[C@@H]3[C@H]2CC[N@H+]3CC2CCOCC2)nc1 ZINC000306143686 231092028 /nfs/dbraw/zinc/09/20/28/231092028.db2.gz YIYNAQRUIVLNCU-QZTJIDSGSA-N 1 0 301.434 2.157 40 0 DEABRO CCOC(=O)c1[nH]c(C)c(CN2C[C@H]3CCC[N@@H+]3C[C@H]2C)c1C ZINC000072324713 191123475 /nfs/dbraw/zinc/12/34/75/191123475.db2.gz WVCYMBYLNNTMCB-IUODEOHRSA-N 1 0 319.449 2.477 40 0 DEABRO CC(C)[NH2+][C@H]1C[C@@H](Cc2cc(CN3CCOCC3)on2)C1(C)C ZINC000072320774 191120772 /nfs/dbraw/zinc/12/07/72/191120772.db2.gz DGEUBIRLCXVMCO-PBHICJAKSA-N 1 0 321.465 2.462 40 0 biogenic,in-vitro DEABRO c1cn(-c2cncc([C@H]3CCC[N@@H+](Cc4cccnc4)C3)n2)cn1 ZINC000072355431 191128844 /nfs/dbraw/zinc/12/88/44/191128844.db2.gz ZRMXNPZJYLUMRQ-INIZCTEOSA-N 1 0 320.400 2.437 40 0 DEABRO COc1ccc2c(c1)cc(C1CC[NH+](CCO)CC1)[nH]c2=O ZINC000072367751 191137214 /nfs/dbraw/zinc/13/72/14/191137214.db2.gz KQMULTOXXDVOSH-UHFFFAOYSA-N 1 0 302.374 2.121 40 0 DEABRO Cn1nccc1CC1CCN(C(=O)[C@]2(C)CCCC[N@@H+]2C)CC1 ZINC000072367369 191137666 /nfs/dbraw/zinc/13/76/66/191137666.db2.gz QQCJEUDTUHARMF-SFHVURJKSA-N 1 0 318.465 2.076 40 0 DEABRO CC[NH+](CC)CCNc1c2nccnc2cc(OC)c1OC ZINC000001873625 180900334 /nfs/dbraw/zinc/90/03/34/180900334.db2.gz VMFYUCKMRALACH-UHFFFAOYSA-N 1 0 304.394 2.401 40 0 DEABRO COC[C@@H](C)NC(=O)C1CC[NH+](Cc2ccccc2C)CC1 ZINC000009062978 354014382 /nfs/dbraw/zinc/01/43/82/354014382.db2.gz SGDRJQOHPXKDCO-OAHLLOKOSA-N 1 0 304.434 2.358 40 0 DEABRO O=C(NC[C@@H]1CCCO1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000038849062 354168140 /nfs/dbraw/zinc/16/81/40/354168140.db2.gz SNRAQBYPRGFDGU-IRXDYDNUSA-N 1 0 302.418 2.194 40 0 DEABRO Cc1cccc(OC[C@@]2(O)C[N@@H+](C3CCCC3)CC[C@@H]2O)c1 ZINC000585282130 357343857 /nfs/dbraw/zinc/34/38/57/357343857.db2.gz HLYBAWXPYZFYPR-ROUUACIJSA-N 1 0 305.418 2.114 40 0 DEABRO Cc1ccccc1O[C@@H]1CCC[C@H]([NH+]2CCC(O)CC2)[C@H]1O ZINC000585288614 357344635 /nfs/dbraw/zinc/34/46/35/357344635.db2.gz FQKZJFXYWIKBDB-CGTJXYLNSA-N 1 0 305.418 2.113 40 0 DEABRO CCc1n(C)c2ccccc2[n+]1C[C@H](O)COc1ccccc1 ZINC000006135523 181315908 /nfs/dbraw/zinc/31/59/08/181315908.db2.gz QNVPGWZVNOZKPJ-HNNXBMFYSA-N 1 0 311.405 2.468 40 0 DEABRO Cc1nc([C@H]2CC[NH2+]C2)nc2c1CCC(=O)N2CCC(C)C ZINC000257275394 203003110 /nfs/dbraw/zinc/00/31/10/203003110.db2.gz NPFHXDMCGLWDBY-ZDUSSCGKSA-N 1 0 302.422 2.187 40 0 DEABRO c1cc([C@H]2CCC[N@@H+](Cc3ccnc(N4CCCC4)n3)C2)ncn1 ZINC000257296678 203020946 /nfs/dbraw/zinc/02/09/46/203020946.db2.gz RDWRGVAFOQQTIS-HNNXBMFYSA-N 1 0 324.432 2.246 40 0 DEABRO CC(C)[NH+]1CCC(c2cncc(N3C[C@@H](C)OC3=O)n2)CC1 ZINC000257324561 203049355 /nfs/dbraw/zinc/04/93/55/203049355.db2.gz WPGKDOSOKHJCEO-GFCCVEGCSA-N 1 0 304.394 2.410 40 0 DEABRO CC(C)c1cc(C(=O)N2C[C@@H]3C[C@@]4(C)[C@H](CCC[C@@H]24)[NH2+]3)n(C)n1 ZINC000257339349 203060016 /nfs/dbraw/zinc/06/00/16/203060016.db2.gz ZBILNSQPXOVMLO-PTOXDTDZSA-N 1 0 316.449 2.289 40 0 DEABRO CCCCC[NH2+]Cc1cc(Cl)c(OCC(N)=O)c(OC)c1 ZINC000007261236 181449874 /nfs/dbraw/zinc/44/98/74/181449874.db2.gz JKYKEVJNEYTMCU-UHFFFAOYSA-N 1 0 314.813 2.493 40 0 DEABRO CCC[NH2+]Cc1cc(Cl)c(OCC(N)=O)c(OCC)c1 ZINC000007262316 181449947 /nfs/dbraw/zinc/44/99/47/181449947.db2.gz GNSTZVYKXOREPR-UHFFFAOYSA-N 1 0 300.786 2.102 40 0 DEABRO Cc1ccc(C[NH+]2C[C@H]3CN(C(=O)c4cscn4)C[C@@H]3C2)o1 ZINC000096245497 193598600 /nfs/dbraw/zinc/59/86/00/193598600.db2.gz XCABEXJAPJJINF-STQMWFEESA-N 1 0 317.414 2.249 40 0 DEABRO O[C@@H]1C[C@@H](c2nc(-c3ccccn3)no2)N(Cc2ccccc2)C1 ZINC000015674191 182012034 /nfs/dbraw/zinc/01/20/34/182012034.db2.gz LWGAAKCTZYPBGC-ZBFHGGJFSA-N 1 0 322.368 2.440 40 0 biogenic,in-vitro DEABRO CC(=O)N[C@H](c1ccccn1)C1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000019020431 182103629 /nfs/dbraw/zinc/10/36/29/182103629.db2.gz NGQNHBIFCGPSPW-YJBOKZPZSA-N 1 0 317.433 2.007 40 0 DEABRO CCC[C@@H](c1nnnn1C1CCCC1)N1CC[NH+](CC)CC1 ZINC000019501865 182125898 /nfs/dbraw/zinc/12/58/98/182125898.db2.gz LOODVCQLLHNYLQ-HNNXBMFYSA-N 1 0 306.458 2.267 40 0 DEABRO COc1cc(OC)c(OC)cc1CN1C[C@@H]2CCC[N@@H+]2C[C@H]1C ZINC000019575068 182131081 /nfs/dbraw/zinc/13/10/81/182131081.db2.gz VCQHZJOZCOBRGY-HIFRSBDPSA-N 1 0 320.433 2.381 40 0 DEABRO CC(C)(C)OC(=O)N1CCN([C@@H](C[NH3+])c2ccc(F)cc2)CC1 ZINC000020179245 182194447 /nfs/dbraw/zinc/19/44/47/182194447.db2.gz RMXUHKONZAXAQJ-HNNXBMFYSA-N 1 0 323.412 2.378 40 0 DEABRO CC[C@@H](Oc1cccc(OC)c1)C(=O)NCCC[NH+]1CCCC1 ZINC000020462123 182220648 /nfs/dbraw/zinc/22/06/48/182220648.db2.gz WTIPDTFYGLVOMC-QGZVFWFLSA-N 1 0 320.433 2.455 40 0 DEABRO CC[C@H](Oc1cccc(OC)c1)C(=O)NCCC[NH+]1CCCC1 ZINC000020462125 182221057 /nfs/dbraw/zinc/22/10/57/182221057.db2.gz WTIPDTFYGLVOMC-KRWDZBQOSA-N 1 0 320.433 2.455 40 0 DEABRO CC[NH+]1CCN(C[C@@H](O)COc2ccccc2C(C)C)CC1 ZINC000022030733 182305453 /nfs/dbraw/zinc/30/54/53/182305453.db2.gz CFOGQCULUUWTQB-MRXNPFEDSA-N 1 0 306.450 2.187 40 0 DEABRO Cc1ccc([C@@H](O)C[NH+]2CCN(CCOC(C)C)CC2)c(C)c1 ZINC000022887504 182338925 /nfs/dbraw/zinc/33/89/25/182338925.db2.gz ZHTDPKTZZQZXTH-IBGZPJMESA-N 1 0 320.477 2.379 40 0 DEABRO Cc1ccc(S(=O)(=O)[C@H]2[C@H](c3ccc(F)cc3)[C@@H]2[NH3+])cc1 ZINC000242548643 257119994 /nfs/dbraw/zinc/11/99/94/257119994.db2.gz LQWDJTHPWRVSPY-PMPSAXMXSA-N 1 0 305.374 2.401 40 0 DEABRO Cc1cc([C@H](C)[NH3+])cnc1N1CCN(C(=O)OC(C)(C)C)CC1 ZINC000072222618 257123839 /nfs/dbraw/zinc/12/38/39/257123839.db2.gz DFHIIGAJFBUYMN-ZDUSSCGKSA-N 1 0 320.437 2.467 40 0 DEABRO COC[C@H]1CN(C(=O)c2ccsc2)CC12CC[NH+](C)CC2 ZINC000248108550 285461372 /nfs/dbraw/zinc/46/13/72/285461372.db2.gz GNDVNTMVWTZCFG-CQSZACIVSA-N 1 0 308.447 2.179 40 0 DEABRO COCc1ccc(C(=O)N2CCCC[C@H]3C[NH2+]CC[C@H]32)cc1 ZINC000257264883 285494375 /nfs/dbraw/zinc/49/43/75/285494375.db2.gz LWIXZTUCXFFVMS-DLBZAZTESA-N 1 0 302.418 2.437 40 0 DEABRO C[N@@H+]1CCC[C@@H](Cc2cnc(C(=O)NC3CCCCC3)cn2)C1 ZINC000072382861 401709602 /nfs/dbraw/zinc/70/96/02/401709602.db2.gz DXIXJWRADYSPAP-AWEZNQCLSA-N 1 0 316.449 2.423 40 0 DEABRO COc1ccc(N2C(=O)C[C@H]([NH+]3C[C@H](C)C[C@@H](C)C3)C2=O)cc1 ZINC000013450808 401799835 /nfs/dbraw/zinc/79/98/35/401799835.db2.gz IYYCNRSLERBFNP-IOASZLSFSA-N 1 0 316.401 2.305 40 0 DEABRO COc1cc(NC(=S)NC[C@H]2CCC[N@H+](C)C2)cc(OC)c1 ZINC000009876258 401766315 /nfs/dbraw/zinc/76/63/15/401766315.db2.gz MEIFMNVYEAYJOR-GFCCVEGCSA-N 1 0 323.462 2.332 40 0 DEABRO C[C@@H]1C[C@H](C)C[N@@H+](C[C@@H](O)COc2ccc3c(c2)OCO3)C1 ZINC000012170299 401781000 /nfs/dbraw/zinc/78/10/00/401781000.db2.gz MBGJDHGOOZFDKI-HZSPNIEDSA-N 1 0 307.390 2.133 40 0 DEABRO CC[NH2+]Cc1cc2c(C)nn(-c3ccc(F)cc3)c2[nH]c1=O ZINC000012290144 401782406 /nfs/dbraw/zinc/78/24/06/401782406.db2.gz OKWUIQFBPLRZCX-UHFFFAOYSA-N 1 0 300.337 2.271 40 0 DEABRO C[C@H](O)[C@@H](C[NH+]1CCCC1)N(C)C(=O)OCc1ccccc1 ZINC000012650924 401789576 /nfs/dbraw/zinc/78/95/76/401789576.db2.gz CTTIQIOTCUBWFN-GOEBONIOSA-N 1 0 306.406 2.100 40 0 DEABRO c1csc(CN2CCO[C@@H]3C[N@@H+](C4CCOCC4)C[C@@H]3C2)c1 ZINC000096108178 402059587 /nfs/dbraw/zinc/05/95/87/402059587.db2.gz FIUQQUMOASVMHH-WMLDXEAASA-N 1 0 322.474 2.060 40 0 DEABRO CO[C@@H]1CCN(C2CCC2)[C@@H]2C[N@H+](Cc3cccnc3)C[C@@H]21 ZINC000096108585 402059871 /nfs/dbraw/zinc/05/98/71/402059871.db2.gz DLDGENYHUJEZMN-RCCFBDPRSA-N 1 0 301.434 2.155 40 0 DEABRO Cc1cccc2c1nc1n2[C@@H](C[NH2+]C2CCN(C)CC2)COC1 ZINC000096112644 402060400 /nfs/dbraw/zinc/06/04/00/402060400.db2.gz MMSAGORQFYNODB-HNNXBMFYSA-N 1 0 314.433 2.100 40 0 biogenic,in-vitro DEABRO O=C(c1ccco1)N1CCC2(C[C@@H]([NH+]3CCCC3)CO2)CC1 ZINC000096047959 402051265 /nfs/dbraw/zinc/05/12/65/402051265.db2.gz BYJWCXDBPDHOQA-CQSZACIVSA-N 1 0 304.390 2.139 40 0 DEABRO CC(C)[N@H+](C)C[C@H]1CO[C@]2(C1)COCCN(Cc1ccco1)C2 ZINC000096051975 402052073 /nfs/dbraw/zinc/05/20/73/402052073.db2.gz OPFLPMXLWRRBAW-WMZOPIPTSA-N 1 0 322.449 2.227 40 0 DEABRO Cc1noc([C@H]2CC[C@@H]3[C@@H](CC[N@@H+]3Cc3ccncc3)O2)n1 ZINC000096057522 402053271 /nfs/dbraw/zinc/05/32/71/402053271.db2.gz BWZIIBJJCHVOSB-RBSFLKMASA-N 1 0 300.362 2.268 40 0 DEABRO O=C(NC1CC1)[C@H]1C[C@@H]2CC[N@H+](Cc3ccsc3)C[C@H]2O1 ZINC000096058225 402053638 /nfs/dbraw/zinc/05/36/38/402053638.db2.gz UCVQFRRXAMLXGR-NWANDNLSSA-N 1 0 306.431 2.006 40 0 DEABRO O=C(C[C@@H]1COC[C@H]2C[N@H+](Cc3cccs3)C[C@H]21)NC1CC1 ZINC000096057277 402053753 /nfs/dbraw/zinc/05/37/53/402053753.db2.gz YYIKVUDPFLWQEM-IOASZLSFSA-N 1 0 320.458 2.111 40 0 DEABRO COC[C@@H]1C[N@H+](CC2CCOCC2)Cc2ncn(CC3CC3)c21 ZINC000096060292 402055036 /nfs/dbraw/zinc/05/50/36/402055036.db2.gz NPUOSHOFTLGPJG-INIZCTEOSA-N 1 0 319.449 2.265 40 0 DEABRO Cc1ccc(C[N@@H+]2C[C@H](c3nc(C)no3)C[C@H]3OCC[C@H]32)o1 ZINC000096064921 402055894 /nfs/dbraw/zinc/05/58/94/402055894.db2.gz ZRGDORFHUMVKBS-BPLDGKMQSA-N 1 0 303.362 2.426 40 0 DEABRO c1cnc(NCC[C@@]23CCO[C@@H]2CC[N@@H+](C2CCC2)C3)nc1 ZINC000096207598 402069814 /nfs/dbraw/zinc/06/98/14/402069814.db2.gz GKIOYPNBKKMAEA-WBVHZDCISA-N 1 0 302.422 2.312 40 0 DEABRO Cc1ccc(C[N@@H+]2C[C@@H]3C[C@@H](Cc4nnc(C)o4)O[C@@H]3C2)o1 ZINC000096209599 402070569 /nfs/dbraw/zinc/07/05/69/402070569.db2.gz IGYKECXTAIGWRK-AEGPPILISA-N 1 0 303.362 2.111 40 0 DEABRO CCOC[C@@H]1CCC2(CCN(C(=O)Cc3ccco3)CC2)[N@@H+]1C ZINC000096209506 402070923 /nfs/dbraw/zinc/07/09/23/402070923.db2.gz GAAXWEVVFPRNKV-HNNXBMFYSA-N 1 0 320.433 2.314 40 0 DEABRO Cc1ccc(C[NH+]2CCC3(C[C@H](NC(=O)C(C)C)CO3)CC2)o1 ZINC000096220617 402071807 /nfs/dbraw/zinc/07/18/07/402071807.db2.gz WEOLARVUKLCIJM-HNNXBMFYSA-N 1 0 320.433 2.484 40 0 DEABRO CC[N@@H+]1CCOC[C@@]2(CCCN(C(=O)c3ccc(F)cc3)C2)C1 ZINC000096228887 402072272 /nfs/dbraw/zinc/07/22/72/402072272.db2.gz ASGGXUFSINJGCF-SFHVURJKSA-N 1 0 320.408 2.400 40 0 DEABRO C[N@@H+]1CCOC[C@@]2(CCCN(C(=O)c3cccc(F)c3)C2)C1 ZINC000096228731 402072554 /nfs/dbraw/zinc/07/25/54/402072554.db2.gz PAPPWRWDENJMCM-KRWDZBQOSA-N 1 0 306.381 2.010 40 0 DEABRO Cn1cc(N2CC[C@@]3(CCC[N@H+](Cc4ccoc4)C3)C2=O)cn1 ZINC000096224623 402072783 /nfs/dbraw/zinc/07/27/83/402072783.db2.gz NJUGVZIJIXNMIQ-QGZVFWFLSA-N 1 0 314.389 2.032 40 0 DEABRO COCCN1CCC2(CC[NH+](Cc3ccc(C)cc3)CC2)C1=O ZINC000096157758 402063345 /nfs/dbraw/zinc/06/33/45/402063345.db2.gz VMMPYTQZHGYSPB-UHFFFAOYSA-N 1 0 316.445 2.456 40 0 DEABRO Cc1noc(C)c1C[N@H+]1C[C@H]2CN(Cc3nccs3)C[C@H]2C1 ZINC000096161655 402063906 /nfs/dbraw/zinc/06/39/06/402063906.db2.gz CMBUBDGBYBYDLR-OKILXGFUSA-N 1 0 318.446 2.312 40 0 DEABRO CC[N@H+]1Cc2nccn2C[C@H](COCc2csc(C)n2)C1 ZINC000096188105 402066047 /nfs/dbraw/zinc/06/60/47/402066047.db2.gz SWIURJDSDGYVNY-CYBMUJFWSA-N 1 0 306.435 2.317 40 0 DEABRO Cn1cc(C[C@H]2[C@H]([NH+](C)C)CCN2Cc2ccsc2)cn1 ZINC000096200886 402068345 /nfs/dbraw/zinc/06/83/45/402068345.db2.gz XUJZDSWZWYCWFO-CVEARBPZSA-N 1 0 304.463 2.229 40 0 DEABRO Cn1cccc1C(=O)N1CC2(C1)CC[N@H+](Cc1ccsc1)C2 ZINC000096202769 402068737 /nfs/dbraw/zinc/06/87/37/402068737.db2.gz KLLNQRNQKDDGSB-UHFFFAOYSA-N 1 0 315.442 2.435 40 0 DEABRO CC1(C)[C@H](Cc2cc(CO)on2)C[C@@H]1[NH2+]Cc1cccnc1 ZINC000067889939 402177482 /nfs/dbraw/zinc/17/74/82/402177482.db2.gz RGRMEXCMPHKLMM-CJNGLKHVSA-N 1 0 301.390 2.309 40 0 biogenic,in-vitro DEABRO CC[N@@H+]1CC[C@]2(CC(C(=O)NC[C@H](C)c3ccccc3)=NO2)C1 ZINC000107231659 402228079 /nfs/dbraw/zinc/22/80/79/402228079.db2.gz AVDKTJOAGHWAIF-KSSFIOAISA-N 1 0 315.417 2.147 40 0 DEABRO CS(=O)(=O)N(Cc1ccccc1)c1ccc(CC(N)=[NH2+])cc1 ZINC000225008465 402315426 /nfs/dbraw/zinc/31/54/26/402315426.db2.gz UXDZKFOEOZIXDI-UHFFFAOYSA-N 1 0 317.414 2.131 40 0 DEABRO CC[NH+]1CCN(c2ccc(N)cc2NC(=O)C(C)(C)C)CC1 ZINC000226258310 402326825 /nfs/dbraw/zinc/32/68/25/402326825.db2.gz NLYJNHHQFKRBPK-UHFFFAOYSA-N 1 0 304.438 2.395 40 0 DEABRO CC(C)c1cc(C(=O)N2C[C@@H](O)[C@H]([NH+]3CCCC3)C2)cs1 ZINC000257212321 402703768 /nfs/dbraw/zinc/70/37/68/402703768.db2.gz CCUZGIHOITXOCR-ZIAGYGMSSA-N 1 0 308.447 2.153 40 0 DEABRO c1cnc(C2CC[NH+](Cc3ccnc(N4CCCC4)n3)CC2)cn1 ZINC000257233980 402707024 /nfs/dbraw/zinc/70/70/24/402707024.db2.gz GRORLRPKDQKVPJ-UHFFFAOYSA-N 1 0 324.432 2.246 40 0 DEABRO COCC[NH+]1CCC(c2ccnc(Nc3ncccn3)c2)CC1 ZINC000257233761 402707073 /nfs/dbraw/zinc/70/70/73/402707073.db2.gz GQPVPJQGPYJGNZ-UHFFFAOYSA-N 1 0 313.405 2.441 40 0 DEABRO COC[C@@H]1CN(C(C)=O)CC[N@H+](Cc2ccc(Cl)cc2)C1 ZINC000257246348 402708268 /nfs/dbraw/zinc/70/82/68/402708268.db2.gz ITRJSHIPSKFXLH-HNNXBMFYSA-N 1 0 310.825 2.267 40 0 DEABRO C[C@]12C[C@@H](c3ccccc3F)[N@H+](CCO)[C@H]1CCCCC(=O)N2 ZINC000257254550 402708685 /nfs/dbraw/zinc/70/86/85/402708685.db2.gz KDPFHQZPRGPYRR-BQFCYCMXSA-N 1 0 320.408 2.382 40 0 DEABRO CN1C(=O)CO[C@@H]2CC[N@@H+](Cc3cc4ccccc4s3)C[C@@H]21 ZINC000257260117 402709888 /nfs/dbraw/zinc/70/98/88/402709888.db2.gz LBJFLMSYKHTPBP-LSDHHAIUSA-N 1 0 316.426 2.333 40 0 DEABRO Cc1[nH+]cc2cncc([C@@H]3CCCN(C(=O)c4ccncc4)C3)n12 ZINC000257263746 402710033 /nfs/dbraw/zinc/71/00/33/402710033.db2.gz LRFYWRRIMZPLLZ-OAHLLOKOSA-N 1 0 321.384 2.453 40 0 DEABRO Cc1nc([C@]2(C)CCC[N@@H+](CC(C)C)C2)nc2c1CC(=O)N2C ZINC000257315661 402712098 /nfs/dbraw/zinc/71/20/98/402712098.db2.gz VCIBJTFFCPVPAF-GOSISDBHSA-N 1 0 316.449 2.313 40 0 DEABRO COc1ccc(CC(=O)N2CC[NH2+]C[C@@H]2c2ccccc2)cc1 ZINC000313339687 403982672 /nfs/dbraw/zinc/98/26/72/403982672.db2.gz FQXAHPGYZZWMPO-GOSISDBHSA-N 1 0 310.397 2.411 40 0 DEABRO CCNc1nc(NC)cc(-c2cccc(OC(F)(F)F)c2)n1 ZINC000328977348 404187589 /nfs/dbraw/zinc/18/75/89/404187589.db2.gz FTHOXWNQGDKFCN-UHFFFAOYSA-N 1 0 312.295 2.360 40 0 DEABRO COc1ccccc1CN1Cc2ccnn2[C@@H](CC[NH+](C)C)C1 ZINC000248142232 274157423 /nfs/dbraw/zinc/15/74/23/274157423.db2.gz UMCAZAUJTNUHCD-KRWDZBQOSA-N 1 0 314.433 2.400 40 0 DEABRO Cc1nc(C)c(CC(=O)N2CC[NH2+]C[C@H]2c2ccccc2)s1 ZINC000257264568 293228742 /nfs/dbraw/zinc/22/87/42/293228742.db2.gz LVAXXWXSMUPVOL-HNNXBMFYSA-N 1 0 315.442 2.476 40 0 DEABRO CCN(CC[NH3+])C[C@H]1CCCCN1C(=O)OCc1ccccc1 ZINC000079391792 185168385 /nfs/dbraw/zinc/16/83/85/185168385.db2.gz PDGYKRMPXHYBRW-QGZVFWFLSA-N 1 0 319.449 2.458 40 0 DEABRO C[C@@H]1C[N@@H+]2C[C@H](O)C[C@H]2CN1Cc1cccc(C(F)(F)F)c1 ZINC000072324797 191122663 /nfs/dbraw/zinc/12/26/63/191122663.db2.gz CWRPDHISSPOZMD-BYCMXARLSA-N 1 0 314.351 2.345 40 0 DEABRO c1cn(-c2nccnc2[C@@H]2CCC[N@@H+](Cc3cccnc3)C2)cn1 ZINC000072350554 191127874 /nfs/dbraw/zinc/12/78/74/191127874.db2.gz LHAJDUSSJFCIIH-MRXNPFEDSA-N 1 0 320.400 2.437 40 0 DEABRO c1cn(-c2cncc([C@H]3CCC[N@@H+](Cc4ccncc4)C3)n2)cn1 ZINC000072355437 191129599 /nfs/dbraw/zinc/12/95/99/191129599.db2.gz BTYSSYTUIZLRBG-INIZCTEOSA-N 1 0 320.400 2.437 40 0 DEABRO Cc1cccc(Nc2cnc([C@@H]3CCC[N@H+](CCO)C3)cn2)n1 ZINC000072361631 191131683 /nfs/dbraw/zinc/13/16/83/191131683.db2.gz HXIXHASLSLOUBL-CQSZACIVSA-N 1 0 313.405 2.095 40 0 DEABRO Cc1csc(Nc2nccnc2[C@H]2CCC[N@H+](CCO)C2)n1 ZINC000072363464 191132928 /nfs/dbraw/zinc/13/29/28/191132928.db2.gz CVCDUTLEYIPLOK-LBPRGKRZSA-N 1 0 319.434 2.157 40 0 DEABRO Cc1cc(C(=O)N2CCC[C@@H](C)C2)nc(C2CC[NH+](C)CC2)n1 ZINC000072369293 191140073 /nfs/dbraw/zinc/14/00/73/191140073.db2.gz YHMSGJXYMHFOEL-CYBMUJFWSA-N 1 0 316.449 2.466 40 0 DEABRO COCC[N@@H+]1CCC[C@H]1c1cc(Nc2ncccn2)nc(C)n1 ZINC000072382686 191142245 /nfs/dbraw/zinc/14/22/45/191142245.db2.gz YXXIPOBCNIPKSH-AWEZNQCLSA-N 1 0 314.393 2.102 40 0 DEABRO CC[N@H+](C)[C@H]1CN(C(=O)c2cnn(C)c2)C2(C1)CCCCC2 ZINC000019704849 354045048 /nfs/dbraw/zinc/04/50/48/354045048.db2.gz AGFGZXGZVWZYJX-OAHLLOKOSA-N 1 0 304.438 2.289 40 0 DEABRO O=C(c1ccnc(F)c1)N1CC[C@]2(CCC[N@@H+]2CC2CC2)C1 ZINC000585099702 357333429 /nfs/dbraw/zinc/33/34/29/357333429.db2.gz YOPMZCNTXNDSKU-QGZVFWFLSA-N 1 0 303.381 2.311 40 0 DEABRO CC(C)N1C[C@]2(CC1=O)COCC[N@H+](Cc1ccccc1)C2 ZINC000585104867 357334212 /nfs/dbraw/zinc/33/42/12/357334212.db2.gz WFNCSSBRSNSUCW-GOSISDBHSA-N 1 0 302.418 2.146 40 0 DEABRO O[C@]1(COc2cccc(F)c2)CC[N@H+](CC2CCOCC2)C1 ZINC000585269172 357339901 /nfs/dbraw/zinc/33/99/01/357339901.db2.gz LCBUUANYXSUBJW-QGZVFWFLSA-N 1 0 309.381 2.068 40 0 DEABRO 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Cc1cccc2nc(C(=O)N3C[C@@H]4C[C@@]5(C)[C@H](CCC[C@@H]35)[NH2+]4)cn21 ZINC000257310083 203034102 /nfs/dbraw/zinc/03/41/02/203034102.db2.gz UDPXSNJJGZXEJW-AMVTXUCVSA-N 1 0 324.428 2.388 40 0 DEABRO COc1ccc([C@H]2C[N@@H+](C3CCOCC3)CCN2C(C)=O)cc1 ZINC000257281999 203011347 /nfs/dbraw/zinc/01/13/47/203011347.db2.gz ORVOIWMPWOAEOU-GOSISDBHSA-N 1 0 318.417 2.079 40 0 DEABRO COC[C@H]1CC2(CO1)CC[NH+](Cc1ccc3c(c1)OCO3)CC2 ZINC000096105757 193539259 /nfs/dbraw/zinc/53/92/59/193539259.db2.gz XGXQWJWPKLNGNR-OAHLLOKOSA-N 1 0 319.401 2.433 40 0 DEABRO c1ccc(O[C@@H]2COC3(C2)CC[NH+](C2CCOCC2)CC3)nc1 ZINC000096110830 193542208 /nfs/dbraw/zinc/54/22/08/193542208.db2.gz CISKZWPZHYBWNV-INIZCTEOSA-N 1 0 318.417 2.263 40 0 DEABRO Cc1cnc(N[C@@H]2CCO[C@]3(CC[N@H+](CC4CC4)C3)C2)nc1 ZINC000096208661 193583639 /nfs/dbraw/zinc/58/36/39/193583639.db2.gz ZJEJMNCLFZJOKA-NVXWUHKLSA-N 1 0 302.422 2.230 40 0 DEABRO O=C(C[C@H]1C[C@H]2C[N@H+](CC3CC3)C[C@H]2O1)NCc1cccs1 ZINC000096216984 193586128 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C[NH2+]Cc1cnc(N2CCN(C(=O)OC(C)(C)C)CC2)cc1C ZINC000072223666 257123801 /nfs/dbraw/zinc/12/38/01/257123801.db2.gz SUWHZUAVUVAZQG-UHFFFAOYSA-N 1 0 320.437 2.167 40 0 DEABRO [NH3+]CCc1nnc2ccc(-c3ccc(Br)cc3)nn21 ZINC000217566487 257131189 /nfs/dbraw/zinc/13/11/89/257131189.db2.gz ATZWTVOEZZXDQP-UHFFFAOYSA-N 1 0 318.178 2.055 40 0 DEABRO c1ccc2c(c1)CN(C[C@@H]1CCC[NH2+]1)CC1(CCOCC1)O2 ZINC000072334284 401709141 /nfs/dbraw/zinc/70/91/41/401709141.db2.gz IDCNGZSUHWVPJZ-INIZCTEOSA-N 1 0 302.418 2.182 40 0 DEABRO COc1ccc([C@H](O)[C@@H]([NH2+]CCO)c2ccc(OC)cc2)cc1 ZINC000001668851 401709596 /nfs/dbraw/zinc/70/95/96/401709596.db2.gz PDPNQUZPEWAQHI-ROUUACIJSA-N 1 0 317.385 2.060 40 0 DEABRO CCN(CC)C(=O)C[NH+]1CCC(c2ccc3c(c2)OCO3)CC1 ZINC000012113974 401779238 /nfs/dbraw/zinc/77/92/38/401779238.db2.gz PGAWKOGVMIIEEJ-UHFFFAOYSA-N 1 0 318.417 2.463 40 0 DEABRO CN1CCC([N@@H+]2CC[C@H](c3nnc(-c4cccnc4)o3)C2)CC1 ZINC000049169686 402013002 /nfs/dbraw/zinc/01/30/02/402013002.db2.gz 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/nfs/dbraw/zinc/05/57/14/402055714.db2.gz JZBYUBQNIKTYPJ-MSOLQXFVSA-N 1 0 301.434 2.158 40 0 DEABRO CC(C)[N@@H+]1CCOC[C@@]2(CCCN(C(=O)c3ccncc3)C2)C1 ZINC000096076254 402057098 /nfs/dbraw/zinc/05/70/98/402057098.db2.gz KTUIDGIHAALMET-SFHVURJKSA-N 1 0 317.433 2.045 40 0 DEABRO CO[C@H]1CCN(Cc2nc(C)cs2)[C@@H]2C[N@H+](CC3CC3)C[C@@H]21 ZINC000096207910 402069554 /nfs/dbraw/zinc/06/95/54/402069554.db2.gz WQFHZTGYKHVSTK-XHSDSOJGSA-N 1 0 321.490 2.383 40 0 DEABRO COC[C@@H]1CCC2(CCN(Cc3cccnc3OC)CC2)[N@@H+]1C ZINC000096216217 402070435 /nfs/dbraw/zinc/07/04/35/402070435.db2.gz DPZIRUVFWVKVEZ-INIZCTEOSA-N 1 0 319.449 2.165 40 0 DEABRO Cc1noc(C)c1CN1CCC[C@]2(CC[N@@H+]([C@@H]3CCOC3)C2)C1 ZINC000096216074 402070539 /nfs/dbraw/zinc/07/05/39/402070539.db2.gz GSXODXBUVBCPIB-AEFFLSMTSA-N 1 0 319.449 2.368 40 0 DEABRO O=C(C[C@@H]1C[C@H]2C[N@H+](CC3CC3)C[C@H]2O1)NCc1cccs1 ZINC000096219235 402071353 /nfs/dbraw/zinc/07/13/53/402071353.db2.gz DXCFGTVLHJSTGE-OFQRWUPVSA-N 1 0 320.458 2.254 40 0 DEABRO Cn1cc(C[N@@H+]2CCC[C@@]3(CCN(c4ccccc4)C3=O)C2)cn1 ZINC000096224481 402071690 /nfs/dbraw/zinc/07/16/90/402071690.db2.gz KWAKZBZYOMNHSV-LJQANCHMSA-N 1 0 324.428 2.439 40 0 DEABRO O=C(NC1CCC1)C1=NO[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000096225558 402072841 /nfs/dbraw/zinc/07/28/41/402072841.db2.gz OVOOTYKUASIWGP-SFHVURJKSA-N 1 0 313.401 2.076 40 0 DEABRO Cc1cccc(C[N@@H+]2CC[C@@]3(CC(=O)N(c4ccccn4)C3)C2)n1 ZINC000096239144 402073032 /nfs/dbraw/zinc/07/30/32/402073032.db2.gz BXUQDXAGMLDNRH-LJQANCHMSA-N 1 0 322.412 2.414 40 0 DEABRO Cc1nc(CN2C[C@]3(CC[N@H+](CC4CC4)C3)CC2=O)cs1 ZINC000096239382 402074096 /nfs/dbraw/zinc/07/40/96/402074096.db2.gz VTNSHFVGCJNWIL-MRXNPFEDSA-N 1 0 305.447 2.286 40 0 DEABRO CC[N@H+](C)[C@@H]1C=CC2(CC1)CCN(C(=O)c1cnccn1)CC2 ZINC000096240282 402074224 /nfs/dbraw/zinc/07/42/24/402074224.db2.gz ACDPYVQDCUJRGR-OAHLLOKOSA-N 1 0 314.433 2.369 40 0 DEABRO Cc1ccccc1C[N@@H+]1C[C@H]2C[C@H](C(=O)NCC3CC3)[C@@H](C1)O2 ZINC000096253039 402074871 /nfs/dbraw/zinc/07/48/71/402074871.db2.gz RHKHFXKROVTLKT-FGTMMUONSA-N 1 0 314.429 2.111 40 0 DEABRO CC[N@@H+]1CCc2cc(C(=O)N(C)C)c(NCC(C)C)nc2CC1 ZINC000096260517 402075485 /nfs/dbraw/zinc/07/54/85/402075485.db2.gz CHBDRWHNNNWYDM-UHFFFAOYSA-N 1 0 318.465 2.272 40 0 DEABRO CO[C@@H]1COC2(C1)CC[NH+](Cc1ccc3c(c1)OCO3)CC2 ZINC000096158774 402063270 /nfs/dbraw/zinc/06/32/70/402063270.db2.gz UXAFQOJQTMFQOJ-AWEZNQCLSA-N 1 0 305.374 2.185 40 0 DEABRO CC(C)C[NH+]1CCC2(CC1)CN(Cc1cccnc1)CCO2 ZINC000096158805 402063357 /nfs/dbraw/zinc/06/33/57/402063357.db2.gz WIKQAXZJYKIEES-UHFFFAOYSA-N 1 0 303.450 2.404 40 0 DEABRO Cc1ccc(C(=O)N2CC[C@H]3[C@H]2CC[N@@H+]3CC2CCOCC2)o1 ZINC000096184460 402065014 /nfs/dbraw/zinc/06/50/14/402065014.db2.gz JIZKPCHELZUOGG-JKSUJKDBSA-N 1 0 318.417 2.303 40 0 DEABRO c1cc(C[N@H+]2C[C@H](OCC3CCOCC3)[C@H]3COC[C@H]32)cs1 ZINC000096185042 402065220 /nfs/dbraw/zinc/06/52/20/402065220.db2.gz YHZQVZFCOTXMBF-BBWFWOEESA-N 1 0 323.458 2.391 40 0 DEABRO C[NH+](C)[C@@H]1CN(C(=O)c2ccc3[nH]ccc3c2)[C@@H]2CCCO[C@H]12 ZINC000096185770 402065714 /nfs/dbraw/zinc/06/57/14/402065714.db2.gz BFXAVJOFODOGMA-ZACQAIPSSA-N 1 0 313.401 2.102 40 0 DEABRO O=C(NCC1CC1)[C@@H]1C[C@H]2[C@H](CC[N@@H+]2Cc2ccsc2)O1 ZINC000096186551 402066132 /nfs/dbraw/zinc/06/61/32/402066132.db2.gz GPMCJSKMVBGHFO-KKUMJFAQSA-N 1 0 306.431 2.006 40 0 DEABRO c1csc(C[N@@H+]2CC[C@]3(C2)COCCN([C@@H]2CCOC2)C3)c1 ZINC000096202181 402068653 /nfs/dbraw/zinc/06/86/53/402068653.db2.gz XGZSTFVDFDCHJZ-NVXWUHKLSA-N 1 0 322.474 2.061 40 0 DEABRO COC[C@H]1C(=O)NCC12CC[NH+](Cc1ccccc1Cl)CC2 ZINC000096206129 402068700 /nfs/dbraw/zinc/06/87/00/402068700.db2.gz OVVHYNIQHYGGCK-AWEZNQCLSA-N 1 0 322.836 2.315 40 0 DEABRO COCC[N@@H+]1C[C@@H](C)[C@]2(C1)COCCN(Cc1ccsc1)C2 ZINC000096202377 402068741 /nfs/dbraw/zinc/06/87/41/402068741.db2.gz NCLVSURAJHLUIN-WBVHZDCISA-N 1 0 324.490 2.165 40 0 DEABRO c1ccc(CN2CCC[C@]3(CC[N@@H+](C[C@H]4CCOC4)C3)C2)nc1 ZINC000107191505 402227660 /nfs/dbraw/zinc/22/76/60/402227660.db2.gz FUUNYYHRVNTBNQ-MJGOQNOKSA-N 1 0 315.461 2.406 40 0 DEABRO CC(C)[N@H+](C)C[C@@H]1CC[C@]2(COCCN(Cc3ccoc3)C2)O1 ZINC000107739540 402240174 /nfs/dbraw/zinc/24/01/74/402240174.db2.gz YXKRTJQHLWGKCE-ROUUACIJSA-N 1 0 322.449 2.370 40 0 DEABRO Cn1nccc1C[NH+]1CCC2(CC(Nc3ncccn3)C2)CC1 ZINC000108528063 402255773 /nfs/dbraw/zinc/25/57/73/402255773.db2.gz JUFUMJACALGSDY-UHFFFAOYSA-N 1 0 312.421 2.067 40 0 DEABRO CCOc1ccc(CCC(=O)NCCC[NH+](C)C)cc1OCC ZINC000216303185 402288525 /nfs/dbraw/zinc/28/85/25/402288525.db2.gz AQTCJBAMBKVZKG-UHFFFAOYSA-N 1 0 322.449 2.485 40 0 DEABRO [NH3+]C[C@@H]1[C@@H](c2cccc(F)c2)[C@@H]1S(=O)(=O)c1ccccc1 ZINC000218630018 402296175 /nfs/dbraw/zinc/29/61/75/402296175.db2.gz QRVWNRYQMJGWOY-BZUAXINKSA-N 1 0 305.374 2.340 40 0 DEABRO O=C(NCC[NH+]1CCCCC1)c1ccc2[nH]c(Cl)nc2c1 ZINC000225975619 402325584 /nfs/dbraw/zinc/32/55/84/402325584.db2.gz AZOLNSPSDYKHHB-UHFFFAOYSA-N 1 0 306.797 2.432 40 0 DEABRO CN(C)c1cc(N2CC3(C2)C[C@H](OCC2CC2)CS3)ncn1 ZINC000248131746 402583366 /nfs/dbraw/zinc/58/33/66/402583366.db2.gz QMMLXSJNWNSNLC-ZDUSSCGKSA-N 1 0 320.462 2.034 40 0 DEABRO CC[NH+](CC)CC[C@H]1CN(C2CCOCC2)Cc2ccnn21 ZINC000248264984 402586013 /nfs/dbraw/zinc/58/60/13/402586013.db2.gz SDYGDNCERLLGIV-KRWDZBQOSA-N 1 0 306.454 2.151 40 0 DEABRO Cn1cccc1C(=O)N1CCC[C@H]1c1cccc(C[NH+](C)C)n1 ZINC000257211700 402703851 /nfs/dbraw/zinc/70/38/51/402703851.db2.gz BZZFWLCBSUPMDI-INIZCTEOSA-N 1 0 312.417 2.459 40 0 DEABRO COCC[N@@H+]1CCC[C@@H](c2cncc(-c3c(C)n[nH]c3C)n2)C1 ZINC000257232302 402706428 /nfs/dbraw/zinc/70/64/28/402706428.db2.gz GKGQZQUOFIWJFF-CQSZACIVSA-N 1 0 315.421 2.309 40 0 DEABRO Cc1c[nH]c([C@H]2CC[N@H+](Cc3cnn4c3nc(C)cc4C)C2)n1 ZINC000257253823 402709111 /nfs/dbraw/zinc/70/91/11/402709111.db2.gz KAKANTGVCFMQIB-AWEZNQCLSA-N 1 0 310.405 2.367 40 0 DEABRO Cc1ccccc1C[N@@H+]1CCOC[C@@H](Cc2cc(=O)[nH]cn2)C1 ZINC000257262151 402709839 /nfs/dbraw/zinc/70/98/39/402709839.db2.gz LKIDXDVOSOEWFG-HNNXBMFYSA-N 1 0 313.401 2.182 40 0 DEABRO Nc1cc(CC[C@@H]2CN(C(=O)c3cccs3)CCO2)cc[nH+]1 ZINC000257264155 402710026 /nfs/dbraw/zinc/71/00/26/402710026.db2.gz LTDMEGCJMDYISZ-CYBMUJFWSA-N 1 0 317.414 2.199 40 0 DEABRO C[C@]12CCCN(C(=O)COc3ccc(F)cc3)[C@@H]1CCC[NH2+]2 ZINC000257261652 402710145 /nfs/dbraw/zinc/71/01/45/402710145.db2.gz LIGWMDWEPXUFEN-WBVHZDCISA-N 1 0 306.381 2.338 40 0 DEABRO Cc1nc(C)c(CC(=O)N2CC[NH2+]C[C@@H]2c2ccccc2)s1 ZINC000257264569 402710919 /nfs/dbraw/zinc/71/09/19/402710919.db2.gz LVAXXWXSMUPVOL-OAHLLOKOSA-N 1 0 315.442 2.476 40 0 DEABRO Cc1cc2nccc(C3CC[NH+](Cc4cncn4C)CC3)n2n1 ZINC000257325590 402711967 /nfs/dbraw/zinc/71/19/67/402711967.db2.gz WTQGRYXOTGHPEO-UHFFFAOYSA-N 1 0 310.405 2.151 40 0 DEABRO CC(C)[N@@H+]1CCN2[C@H](CN(C(=O)c3ccccc3)CC2(C)C)C1 ZINC000253399503 402663483 /nfs/dbraw/zinc/66/34/83/402663483.db2.gz JNEWGGHFYAIRGV-KRWDZBQOSA-N 1 0 315.461 2.316 40 0 biogenic,in-vitro DEABRO [NH3+]C1(Cc2ccc(C(F)(F)F)cc2)CCS(=O)(=O)CC1 ZINC000255187394 402681271 /nfs/dbraw/zinc/68/12/71/402681271.db2.gz DFRVETYZEAWYGV-UHFFFAOYSA-N 1 0 307.337 2.154 40 0 DEABRO CC(C)C[N@@H+]1CCC[C@]1(C(=O)N1CCCC1)c1cnccn1 ZINC000257204814 402702427 /nfs/dbraw/zinc/70/24/27/402702427.db2.gz AWJQOKCHRPMVJF-QGZVFWFLSA-N 1 0 302.422 2.046 40 0 DEABRO O=C(c1ccnc2ccncc21)N1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000333856750 403886469 /nfs/dbraw/zinc/88/64/69/403886469.db2.gz RCUOKGBANQOMNQ-DYVFJYSZSA-N 1 0 310.401 2.234 40 0 DEABRO CN(C(=O)OCc1ccccc1)[C@H]1CC[C@H]([NH2+]CCO)CC1 ZINC000242548482 225216507 /nfs/dbraw/zinc/21/65/07/225216507.db2.gz LMYVDHBXAZTXRN-WKILWMFISA-N 1 0 306.406 2.148 40 0 DEABRO COc1ccc(CCN2CC[NH2+][C@H]3CCCC[C@@H]32)cc1OC ZINC000225712022 262484835 /nfs/dbraw/zinc/48/48/35/262484835.db2.gz PCDYWXSLJODRRH-HOTGVXAUSA-N 1 0 304.434 2.463 40 0 DEABRO Clc1cc(NCCC2CC[NH2+]CC2)nc(-c2ccccn2)n1 ZINC000329040290 424902840 /nfs/dbraw/zinc/90/28/40/424902840.db2.gz SCKLAWRPFYPDMZ-UHFFFAOYSA-N 1 0 317.824 2.994 40 0 DEABRO CC(=O)Nc1ccc(OC[C@H](O)C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000026781664 277080830 /nfs/dbraw/zinc/08/08/30/277080830.db2.gz GESMYNQNRCGSED-CZUORRHYSA-N 1 0 306.406 2.117 40 0 DEABRO COCC[NH+]1CCC2(C[C@H](CC(N)=O)c3ccc(F)cc32)CC1 ZINC000096100178 277515023 /nfs/dbraw/zinc/51/50/23/277515023.db2.gz ZOQFXLDHDCMENO-ZDUSSCGKSA-N 1 0 320.408 2.168 40 0 DEABRO CN(CC[NH+]1CCCCC1)C(=O)[C@H]1CC(=O)Nc2ccccc21 ZINC000012325904 289651691 /nfs/dbraw/zinc/65/16/91/289651691.db2.gz DVHHLHUZHLUMFM-HNNXBMFYSA-N 1 0 315.417 2.057 40 0 DEABRO Cc1nnc(N2CC[C@]3(C2)C[C@@H]([NH+]2CCCC2)CCO3)s1 ZINC000096217713 293841689 /nfs/dbraw/zinc/84/16/89/293841689.db2.gz WFDUSSMSBLEDSP-DZGCQCFKSA-N 1 0 308.451 2.070 40 0 DEABRO O=S(=O)(c1ccccc1)N1C[C@H]2[C@@H](C[N@@H+]2CC2CCCC2)C1 ZINC000247310152 568416962 /nfs/dbraw/zinc/41/69/62/568416962.db2.gz IDKGSBSNWBEEJM-RDJZCZTQSA-N 1 0 320.458 2.182 40 0 DEABRO CC[N@H+](CCO)C[C@@H]1CCCN1C(=O)OCc1ccccc1 ZINC000079391672 185168380 /nfs/dbraw/zinc/16/83/80/185168380.db2.gz KEULSGIYHYHLER-INIZCTEOSA-N 1 0 306.406 2.102 40 0 DEABRO CC(C)N(CC[NH3+])[C@@H]1CCCN(C(=O)OCc2ccccc2)C1 ZINC000079391830 185168436 /nfs/dbraw/zinc/16/84/36/185168436.db2.gz CWOWARLGPRVPDG-QGZVFWFLSA-N 1 0 319.449 2.457 40 0 DEABRO CCN(CC[NH3+])C[C@@H]1CCCCN1C(=O)OCc1ccccc1 ZINC000079391790 185168464 /nfs/dbraw/zinc/16/84/64/185168464.db2.gz PDGYKRMPXHYBRW-KRWDZBQOSA-N 1 0 319.449 2.458 40 0 DEABRO CC(C)[N@H+](CCO)[C@H]1CCCN(C(=O)OCc2ccccc2)C1 ZINC000079391714 185168629 /nfs/dbraw/zinc/16/86/29/185168629.db2.gz FWERKJJHCWPUKE-KRWDZBQOSA-N 1 0 320.433 2.490 40 0 DEABRO c1ccc(C[N@H+]2C[C@H]3OC[C@@H](CNc4ccccn4)[C@H]3C2)nc1 ZINC000306141412 231092168 /nfs/dbraw/zinc/09/21/68/231092168.db2.gz VVDROCJOTBOSNZ-DJIMGWMZSA-N 1 0 310.401 2.036 40 0 DEABRO CC(C)N1NC2(CC[NH+](Cc3ccccc3)CC2)NC1=S ZINC000225350195 539729754 /nfs/dbraw/zinc/72/97/54/539729754.db2.gz SVGKGGSFQHDCJQ-UHFFFAOYSA-N 1 0 304.463 2.082 40 0 DEABRO Cc1cc(C(=O)N2CCC(C)CC2)nc(C2CC[NH+](C)CC2)n1 ZINC000072365891 191135984 /nfs/dbraw/zinc/13/59/84/191135984.db2.gz BWERORMBXSUYEB-UHFFFAOYSA-N 1 0 316.449 2.466 40 0 DEABRO COCC[N@@H+]1CCC[C@@H](c2ccnc(Nc3ncccn3)c2)C1 ZINC000072367899 191137613 /nfs/dbraw/zinc/13/76/13/191137613.db2.gz HUUZOPPXFGLXMY-OAHLLOKOSA-N 1 0 313.405 2.441 40 0 DEABRO CC[NH+](CC)CCNCc1cc(-c2ccccc2)cn2nnnc12 ZINC000072392312 191148161 /nfs/dbraw/zinc/14/81/61/191148161.db2.gz BDBBWVFQQKXMKC-UHFFFAOYSA-N 1 0 324.432 2.223 40 0 DEABRO CCN(CC)C(=O)c1ccccc1NC(=O)C1CC[NH+](C)CC1 ZINC000174249280 198310245 /nfs/dbraw/zinc/31/02/45/198310245.db2.gz RBFJSQZPDDDVBZ-UHFFFAOYSA-N 1 0 317.433 2.449 40 0 DEABRO CC[NH+](CC)CCNC(=O)Nc1c[nH]c2c(C)cccc2c1=O ZINC000004907486 181171604 /nfs/dbraw/zinc/17/16/04/181171604.db2.gz WENFRPROBWXMKR-UHFFFAOYSA-N 1 0 316.405 2.300 40 0 DEABRO COC(=O)c1cc(NC(=O)[C@@H]2CCC[N@H+](C)C2)ccc1Cl ZINC000073692201 191341416 /nfs/dbraw/zinc/34/14/16/191341416.db2.gz DPZNNRLIBSGZJQ-SNVBAGLBSA-N 1 0 310.781 2.407 40 0 DEABRO CCOCC[C@@H]1CCOC12CC[NH+](Cc1cnn(C)c1)CC2 ZINC000585103251 357333777 /nfs/dbraw/zinc/33/37/77/357333777.db2.gz AMCQFICUVRZKGI-MRXNPFEDSA-N 1 0 307.438 2.218 40 0 DEABRO O[C@]1(COc2ccc(F)cc2)CCC[N@@H+](C2CCOCC2)C1 ZINC000585269148 357340092 /nfs/dbraw/zinc/34/00/92/357340092.db2.gz KMTZISPHUVFGMW-QGZVFWFLSA-N 1 0 309.381 2.210 40 0 DEABRO CCCCc1ccc(C[NH2+]C[C@@H]2COC[C@@H](OC)[C@H]2O)cc1 ZINC000585286256 357344524 /nfs/dbraw/zinc/34/45/24/357344524.db2.gz KCSNBYLOCAPKDB-KURKYZTESA-N 1 0 307.434 2.141 40 0 DEABRO Cc1cc(C)cc(OC[C@@]2(O)C[N@@H+](C3CCCC3)CC[C@@H]2O)c1 ZINC000585287228 357345221 /nfs/dbraw/zinc/34/52/21/357345221.db2.gz LDJOHXUGFFCNDP-OALUTQOASA-N 1 0 319.445 2.423 40 0 DEABRO Cc1ccc2[nH]c(=O)c(C[NH2+]C[C@H](O)COC(C)C)cc2c1 ZINC000585291812 357345981 /nfs/dbraw/zinc/34/59/81/357345981.db2.gz DMMOKMDVKFPMSX-HNNXBMFYSA-N 1 0 304.390 2.124 40 0 DEABRO Cc1ccc(N(C)[C@H]2COC3(C2)CC[NH+](CCO)CC3)cc1 ZINC000257276521 203003962 /nfs/dbraw/zinc/00/39/62/203003962.db2.gz NUCGMPLUTGPLFM-QGZVFWFLSA-N 1 0 304.434 2.047 40 0 DEABRO COc1ncccc1C(=O)N1C[C@@H]2C[C@@]3(C)[C@H](CCC[C@@H]13)[N@@H+]2C ZINC000257294709 203019732 /nfs/dbraw/zinc/01/97/32/203019732.db2.gz QVISNGMBBCFFKW-FRQROOTJSA-N 1 0 315.417 2.178 40 0 DEABRO Cc1n[nH]c(C)c1CCC(=O)N1CC[NH2+]C[C@@H]1c1ccccc1 ZINC000257332870 203054574 /nfs/dbraw/zinc/05/45/74/203054574.db2.gz XZCNPOZRTXZXRO-QGZVFWFLSA-N 1 0 312.417 2.132 40 0 DEABRO Cc1ccccc1C[N@@H+]1CC[C@@]1(CCCc1cnccn1)C(N)=O ZINC000257315300 203038430 /nfs/dbraw/zinc/03/84/30/203038430.db2.gz VASKTKUJKBLJRU-IBGZPJMESA-N 1 0 324.428 2.238 40 0 DEABRO O=C(Cn1cccn1)N1CCCC[C@H]2[NH2+][C@@H](c3ccccc3)C[C@@H]21 ZINC000257318678 203042754 /nfs/dbraw/zinc/04/27/54/203042754.db2.gz VOYZMPGQGWLVMJ-KURKYZTESA-N 1 0 324.428 2.367 40 0 DEABRO Cc1ncsc1CN1CCO[C@H](CCc2cc[nH+]c(N)c2)C1 ZINC000257319824 203043111 /nfs/dbraw/zinc/04/31/11/203043111.db2.gz VUFBNSBHZYUTEW-CQSZACIVSA-N 1 0 318.446 2.262 40 0 DEABRO CC(=O)N[C@H]1CC[N@H+](Cc2ccc3ccccc3c2)CC[C@@H]1O ZINC000257326082 203049162 /nfs/dbraw/zinc/04/91/62/203049162.db2.gz WVSLZSLBOFSERF-OALUTQOASA-N 1 0 312.413 2.301 40 0 DEABRO COCC[N@@H+]1CCC[C@H](c2cccc(-c3ccnn3C)n2)C1 ZINC000257326957 203050833 /nfs/dbraw/zinc/05/08/33/203050833.db2.gz WZGFNDMSYRXOPC-AWEZNQCLSA-N 1 0 300.406 2.308 40 0 DEABRO COCC[N@@H+]1CCC[C@H](c2cc(-c3ccnn3C)nc(C)n2)C1 ZINC000257339701 203062829 /nfs/dbraw/zinc/06/28/29/203062829.db2.gz ZCVLQWFAPYLGRN-AWEZNQCLSA-N 1 0 315.421 2.011 40 0 DEABRO CCN(C)c1ncnc2c1CC[N@H+](Cc1ccc(C)o1)CC2 ZINC000096058790 193510678 /nfs/dbraw/zinc/51/06/78/193510678.db2.gz BNBSQIHJHYXMAP-UHFFFAOYSA-N 1 0 300.406 2.435 40 0 DEABRO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(C(=O)C1CC=CC1)C2 ZINC000096215089 193584150 /nfs/dbraw/zinc/58/41/50/193584150.db2.gz GIGODZHKBOZAEJ-IEBWSBKVSA-N 1 0 318.461 2.160 40 0 DEABRO C[NH+]1CCC2(C[C@H](COCC3CC3)N(c3ncccn3)C2)CC1 ZINC000096219238 193587629 /nfs/dbraw/zinc/58/76/29/193587629.db2.gz YOZVCDIQCKBCPG-MRXNPFEDSA-N 1 0 316.449 2.194 40 0 DEABRO CC1=N[C@@]2(CC[C@@H]3C[N@H+](Cc4cccc(C)c4)C[C@@H]32)C(=O)N1C ZINC000096261410 193606020 /nfs/dbraw/zinc/60/60/20/193606020.db2.gz HSYYZJOPWIWVAS-ZIFCJYIRSA-N 1 0 311.429 2.466 40 0 DEABRO Cc1nc([C@@H]2CC[N@H+](Cc3cccc(F)c3F)C2)cc(=O)[nH]1 ZINC000019285261 182111995 /nfs/dbraw/zinc/11/19/95/182111995.db2.gz JQOUXZSBWZDFLO-LLVKDONJSA-N 1 0 305.328 2.346 40 0 DEABRO O=C(C1CCCC1)N1CCc2nc([C@H]3CCCC[NH2+]3)ncc2C1 ZINC000019292245 182113145 /nfs/dbraw/zinc/11/31/45/182113145.db2.gz VHUVNTHVQCHTLZ-MRXNPFEDSA-N 1 0 314.433 2.366 40 0 DEABRO C[C@H]1C[N@@H+]2C[C@H](O)C[C@@H]2CN1Cc1cccc(C(F)(F)F)c1 ZINC000019575943 182131513 /nfs/dbraw/zinc/13/15/13/182131513.db2.gz CWRPDHISSPOZMD-NILFDRSVSA-N 1 0 314.351 2.345 40 0 DEABRO CC(=O)NC1(c2ccccc2)CC[NH+](Cc2ccnn2C)CC1 ZINC000019658558 182134913 /nfs/dbraw/zinc/13/49/13/182134913.db2.gz BSKAVUBDBNXMSF-UHFFFAOYSA-N 1 0 312.417 2.048 40 0 DEABRO COc1ccc(F)cc1C[NH2+][C@H]1CCC[C@H](S(C)(=O)=O)C1 ZINC000285102045 218292368 /nfs/dbraw/zinc/29/23/68/218292368.db2.gz KJODBHXJYPUPKG-KBPBESRZSA-N 1 0 315.410 2.280 40 0 DEABRO CC(C)(C)OC(=O)N1CCC([C@@](O)(C[NH3+])c2ccccc2)CC1 ZINC000072208122 257128284 /nfs/dbraw/zinc/12/82/84/257128284.db2.gz UKSVOIZZSYDZTQ-GOSISDBHSA-N 1 0 320.433 2.480 40 0 DEABRO O=C1C[C@H]2[C@@H](CC[N@@H+]2CC2CCOCC2)N1c1ccsc1 ZINC000503860643 257163521 /nfs/dbraw/zinc/16/35/21/257163521.db2.gz WTMKHHSEQDDJEK-CABCVRRESA-N 1 0 306.431 2.354 40 0 DEABRO c1cc(CSC2=[NH+]CCN2)ccc1CSC1=[NH+]CCN1 ZINC000001633984 401709208 /nfs/dbraw/zinc/70/92/08/401709208.db2.gz QNBQBGUMEMAOPZ-UHFFFAOYSA-N 1 0 306.460 2.071 40 0 DEABRO Nc1nc(N(Cc2ccccc2)Cc2ccccc2)nc(N)[nH+]1 ZINC000001693824 401709899 /nfs/dbraw/zinc/70/98/99/401709899.db2.gz ZTTRDDAQBRTOPO-UHFFFAOYSA-N 1 0 306.373 2.243 40 0 DEABRO CC(C)(C)OC(=O)N1CCN(c2ccc(C(N)=[NH2+])cc2)CC1 ZINC000002599223 401715296 /nfs/dbraw/zinc/71/52/96/401715296.db2.gz CHEGVGMHYBAEPA-UHFFFAOYSA-N 1 0 304.394 2.028 40 0 DEABRO c1ccc2c(c1)C[N@@H+](C[C@H]1CCOC1)CC1(CCOCC1)O2 ZINC000012122161 401780025 /nfs/dbraw/zinc/78/00/25/401780025.db2.gz CBKFANRINSQGIO-OAHLLOKOSA-N 1 0 303.402 2.467 40 0 DEABRO CC[C@H](C)NC(=O)Cn1c(C2CC[NH2+]CC2)cc2cccnc21 ZINC000012222083 401781769 /nfs/dbraw/zinc/78/17/69/401781769.db2.gz WGKJSUKTUXSOAY-ZDUSSCGKSA-N 1 0 314.433 2.418 40 0 DEABRO CC(C)[N@@H+](Cc1ccccc1)C[C@@H]1CCCCN1C(=O)C[NH3+] ZINC000079424367 401872844 /nfs/dbraw/zinc/87/28/44/401872844.db2.gz SLSLEVBACFIQHJ-KRWDZBQOSA-N 1 0 303.450 2.237 40 0 DEABRO O=C(C[NH2+]C1CCCCC1)Nc1ccccc1N1CCOCC1 ZINC000035311453 401898554 /nfs/dbraw/zinc/89/85/54/401898554.db2.gz KAAXIVJHCQXTFE-UHFFFAOYSA-N 1 0 317.433 2.384 40 0 DEABRO COc1ccc(-c2noc([C@@H]3C[C@H]([NH+](C)C)CN3C)n2)cc1 ZINC000035424521 401899491 /nfs/dbraw/zinc/89/94/91/401899491.db2.gz GSGQDEXTEZCKTR-JSGCOSHPSA-N 1 0 302.378 2.052 40 0 biogenic,in-vitro DEABRO COc1cccc(OC)c1OC[C@@H](O)C[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000037530381 401915128 /nfs/dbraw/zinc/91/51/28/401915128.db2.gz APTCTONTNWIXCI-KKUMJFAQSA-N 1 0 323.433 2.421 40 0 DEABRO Cc1ccc([C@H](C[NH2+]Cc2cccnc2)N2CCOCC2)o1 ZINC000135946408 401956103 /nfs/dbraw/zinc/95/61/03/401956103.db2.gz DHRPBKRAEVSLOL-INIZCTEOSA-N 1 0 301.390 2.146 40 0 DEABRO O=C(NC[C@@H]1OC[C@@H]2C[N@H+](Cc3ccsc3)CC[C@H]12)C1CC1 ZINC000096110765 402060465 /nfs/dbraw/zinc/06/04/65/402060465.db2.gz JWQBFXSFAWSZNN-JYJNAYRXSA-N 1 0 320.458 2.111 40 0 DEABRO c1coc(CN2CCO[C@H]3[C@H](Oc4ccccn4)CC[C@@H]32)c1 ZINC000096041858 402048737 /nfs/dbraw/zinc/04/87/37/402048737.db2.gz WDSYEINIICHFND-ZMSDIMECSA-N 1 0 300.358 2.485 40 0 DEABRO c1coc(C[N@@H+]2CCC[C@]3(C[C@H](Nc4ncccn4)CO3)C2)c1 ZINC000096048328 402050945 /nfs/dbraw/zinc/05/09/45/402050945.db2.gz MKMAWSJBDSWHBF-YOEHRIQHSA-N 1 0 314.389 2.305 40 0 DEABRO Cc1ccc(C[N@H+]2CCC[C@@]3(CO[C@@H](C(=O)N(C)C)C3)C2)o1 ZINC000096048886 402051344 /nfs/dbraw/zinc/05/13/44/402051344.db2.gz NMHRLHSWSBKWEE-WBVHZDCISA-N 1 0 306.406 2.047 40 0 DEABRO O=C(c1cccs1)N1C[C@H]2C[NH+](Cc3ccccn3)C[C@@H]2C1 ZINC000096053830 402051762 /nfs/dbraw/zinc/05/17/62/402051762.db2.gz CAUOMKYEGRQVSW-ZIAGYGMSSA-N 1 0 313.426 2.347 40 0 DEABRO C[NH+](C)CCOC[C@@H]1CC[C@H]2[C@@H]1OCCN2Cc1cccs1 ZINC000096055202 402052920 /nfs/dbraw/zinc/05/29/20/402052920.db2.gz TZDISLJCDSEHBM-BHYGNILZSA-N 1 0 324.490 2.306 40 0 DEABRO c1ccc(C[N@@H+]2C[C@H](Oc3cccnc3)[C@H]3OCCC[C@@H]32)nc1 ZINC000096058085 402053300 /nfs/dbraw/zinc/05/33/00/402053300.db2.gz XPQFQTRCAKEMAN-BZSNNMDCSA-N 1 0 311.385 2.287 40 0 DEABRO c1coc(C[N@@H+]2C[C@H](Oc3cccnc3)[C@H]3OCCC[C@@H]32)c1 ZINC000096058075 402053620 /nfs/dbraw/zinc/05/36/20/402053620.db2.gz ZXMXPUKQUOWUER-ULQDDVLXSA-N 1 0 300.358 2.485 40 0 DEABRO c1ccc(-c2nnn3c2CO[C@H](C[NH2+]Cc2ccccn2)C3)cc1 ZINC000096061089 402054895 /nfs/dbraw/zinc/05/48/95/402054895.db2.gz CRJFTSUMCNMPLH-MRXNPFEDSA-N 1 0 321.384 2.029 40 0 DEABRO c1cc(C[NH2+]C[C@@H]2Cn3nnc(-c4ccccc4)c3CO2)co1 ZINC000096061073 402055029 /nfs/dbraw/zinc/05/50/29/402055029.db2.gz KIIOVRQHWRNRNQ-OAHLLOKOSA-N 1 0 310.357 2.227 40 0 DEABRO c1csc(CN2CC[C@]3(C2)COCC[N@@H+](CC2CC2)C3)n1 ZINC000096062452 402055335 /nfs/dbraw/zinc/05/53/35/402055335.db2.gz GUCRHFUOYHAHRM-MRXNPFEDSA-N 1 0 307.463 2.077 40 0 DEABRO Cc1noc(C)c1C[NH+]1CCC2(CCN2c2ncccn2)CC1 ZINC000096078000 402057009 /nfs/dbraw/zinc/05/70/09/402057009.db2.gz IJAWOMVCVBDHIC-UHFFFAOYSA-N 1 0 313.405 2.326 40 0 DEABRO Cc1cccc(C[N@@H+]2CCC[C@@]23CCN(c2nncs2)C3)n1 ZINC000096203082 402068972 /nfs/dbraw/zinc/06/89/72/402068972.db2.gz IDIBMJHUCHXNCY-INIZCTEOSA-N 1 0 315.446 2.486 40 0 DEABRO O=C(C[C@@H]1OC[C@H]2C[N@H+](Cc3ccoc3)CC[C@H]21)NCC1CC1 ZINC000096206116 402068996 /nfs/dbraw/zinc/06/89/96/402068996.db2.gz KILRMCFZXMKVGA-ZACQAIPSSA-N 1 0 318.417 2.033 40 0 DEABRO C(c1nnc(C2CC2)o1)[C@@H]1OC[C@H]2C[N@H+](CC3CC3)CC[C@H]21 ZINC000096207549 402069851 /nfs/dbraw/zinc/06/98/51/402069851.db2.gz SIHDSFUYMGRMDN-KFWWJZLASA-N 1 0 303.406 2.236 40 0 DEABRO CS(=O)(=O)N1CCC[C@@]12CCC[N@H+](Cc1ccsc1)C2 ZINC000096215008 402070383 /nfs/dbraw/zinc/07/03/83/402070383.db2.gz MIZFLAJWNJLYIP-CQSZACIVSA-N 1 0 314.476 2.138 40 0 DEABRO CC(C)C[N@@H+]1CCC[C@]2(CCN(C(=O)c3cnccn3)C2)C1 ZINC000096215276 402070525 /nfs/dbraw/zinc/07/05/25/402070525.db2.gz ACQGVSWHJDFGLM-KRWDZBQOSA-N 1 0 302.422 2.061 40 0 DEABRO CN(C)C(=O)C[N@@H+]1CCC[C@]12CCCN(Cc1ccsc1)C2 ZINC000096214874 402070822 /nfs/dbraw/zinc/07/08/22/402070822.db2.gz QBMJLHUXGHBZLJ-KRWDZBQOSA-N 1 0 321.490 2.267 40 0 DEABRO Cc1nc(N2CCCC2)nc2c1CC[N@H+](Cc1ccncc1)CC2 ZINC000096254542 402074437 /nfs/dbraw/zinc/07/44/37/402074437.db2.gz QVLSKOJIIYZQRD-UHFFFAOYSA-N 1 0 323.444 2.381 40 0 DEABRO CC(C)CC[N@@H+]1C[C@H]2C[C@H](C(=O)Nc3cccnc3)[C@@H](C1)O2 ZINC000096253367 402074900 /nfs/dbraw/zinc/07/49/00/402074900.db2.gz HHLIVXQIIDPOOH-OWCLPIDISA-N 1 0 303.406 2.156 40 0 DEABRO Cc1cccc(CN2CC[C@@]3(CC[N@@H+]([C@@H]4CCOC4)C3)C2=O)c1 ZINC000096159611 402063477 /nfs/dbraw/zinc/06/34/77/402063477.db2.gz JSRGPKBCSAYGIF-MJGOQNOKSA-N 1 0 314.429 2.208 40 0 DEABRO Cn1cc(N2C(=O)CC[C@@H]3[C@H]2CC[N@@H+]3Cc2cccs2)cn1 ZINC000096186477 402066112 /nfs/dbraw/zinc/06/61/12/402066112.db2.gz DDXDDGVQJIVCGL-HUUCEWRRSA-N 1 0 316.430 2.252 40 0 DEABRO CCC[N@@H+]1CCOC[C@]2(CCN(Cc3csc(C)n3)C2)C1 ZINC000096202117 402068819 /nfs/dbraw/zinc/06/88/19/402068819.db2.gz BJBHUSMERVFQOS-MRXNPFEDSA-N 1 0 309.479 2.386 40 0 DEABRO c1coc(CN2CCO[C@H]3[C@@H](Oc4cccnc4)CC[C@@H]32)c1 ZINC000097953739 402133796 /nfs/dbraw/zinc/13/37/96/402133796.db2.gz GDRXISIIMIPRTM-YESZJQIVSA-N 1 0 300.358 2.485 40 0 DEABRO CC(C)(C)c1cc(CC2([NH2+][C@H]3CC[C@@H](CO)CC3)COC2)no1 ZINC000100042138 402139313 /nfs/dbraw/zinc/13/93/13/402139313.db2.gz UQBOTIUWMHIONT-HDJSIYSDSA-N 1 0 322.449 2.424 40 0 biogenic,in-vitro DEABRO COc1ccc(N2C(=O)C[C@@H]([NH2+]C3CCC(C)CC3)C2=O)cc1 ZINC000100619710 402141776 /nfs/dbraw/zinc/14/17/76/402141776.db2.gz RLKIPKNDFSNFRW-SEEARECTSA-N 1 0 316.401 2.495 40 0 DEABRO Cc1ccccc1C[N@H+]1CC[C@H]2OCC[C@@]2(C(=O)N(C)C)C1 ZINC000107710059 402239176 /nfs/dbraw/zinc/23/91/76/402239176.db2.gz KFQAABZRFQKQQL-SJLPKXTDSA-N 1 0 302.418 2.064 40 0 DEABRO O=C(C[C@H]1[C@H]2C[N@@H+](Cc3ccco3)C[C@@H]12)NCc1ccco1 ZINC000107745931 402240217 /nfs/dbraw/zinc/24/02/17/402240217.db2.gz QNRCQYJTCANNLO-MUJYYYPQSA-N 1 0 300.358 2.257 40 0 DEABRO c1ccc(CN2CCC[C@]3(CC[N@@H+]([C@H]4CCOC4)C3)C2)nc1 ZINC000107766075 402240944 /nfs/dbraw/zinc/24/09/44/402240944.db2.gz JZBYUBQNIKTYPJ-ROUUACIJSA-N 1 0 301.434 2.158 40 0 DEABRO Cc1ccc(C(=O)N2CCC3(CC2)C[C@@H]([NH+](C)C)CCO3)cn1 ZINC000108531593 402256276 /nfs/dbraw/zinc/25/62/76/402256276.db2.gz LVWNSEGSHSBUJQ-INIZCTEOSA-N 1 0 317.433 2.105 40 0 DEABRO Cc1ccccc1C[NH+]1CCC2(CC(NS(C)(=O)=O)C2)CC1 ZINC000108531397 402256416 /nfs/dbraw/zinc/25/64/16/402256416.db2.gz KAKCEMHUZNXYJS-UHFFFAOYSA-N 1 0 322.474 2.289 40 0 DEABRO Cc1cc(C(=O)N2C[C@H]3OC[C@@H](C[NH+](C)C)[C@H]3C2)sc1C ZINC000248023535 402580624 /nfs/dbraw/zinc/58/06/24/402580624.db2.gz RWRNGQOTCQDZPY-MGPQQGTHSA-N 1 0 308.447 2.014 40 0 DEABRO c1csc(C[N@@H+]2CC[C@]3(C2)COCCN([C@H]2CCOC2)C3)c1 ZINC000247855387 402576991 /nfs/dbraw/zinc/57/69/91/402576991.db2.gz XGZSTFVDFDCHJZ-DOTOQJQBSA-N 1 0 322.474 2.061 40 0 DEABRO Cc1oncc1C(=O)NCC1CC[NH+](C2CCSCC2)CC1 ZINC000252489722 402655267 /nfs/dbraw/zinc/65/52/67/402655267.db2.gz JYNOMEYSUPMDCR-UHFFFAOYSA-N 1 0 323.462 2.320 40 0 DEABRO c1ccc([C@@H]2C[NH2+]CCN2Cc2ccnc(N3CCCC3)n2)cc1 ZINC000257242126 402707519 /nfs/dbraw/zinc/70/75/19/402707519.db2.gz IBETUYZNYMTIDW-SFHVURJKSA-N 1 0 323.444 2.223 40 0 DEABRO Clc1ccccc1OCCc1cc([C@H]2C[NH2+]CCO2)[nH]n1 ZINC000257248666 402708431 /nfs/dbraw/zinc/70/84/31/402708431.db2.gz JESBNHYTAMSFRF-OAHLLOKOSA-N 1 0 307.781 2.346 40 0 DEABRO COCC[NH+]1CCC(c2ccnc(Nc3cnccn3)c2)CC1 ZINC000257249518 402708482 /nfs/dbraw/zinc/70/84/82/402708482.db2.gz JISICRJFHCWYIH-UHFFFAOYSA-N 1 0 313.405 2.441 40 0 DEABRO CO[C@H]1C[N@H+](CC2=Cc3ccccc3OC2)C[C@@]12CCCO2 ZINC000257258661 402709595 /nfs/dbraw/zinc/70/95/95/402709595.db2.gz KUZQFBJOCLMIII-ROUUACIJSA-N 1 0 301.386 2.342 40 0 DEABRO Cc1cccc(CN2C(=O)CCCC[C@H]3[C@H]2CC[N@@H+]3CCO)c1 ZINC000257291802 402711589 /nfs/dbraw/zinc/71/15/89/402711589.db2.gz QIQNCPHPVQRKPS-ZWKOTPCHSA-N 1 0 316.445 2.333 40 0 DEABRO Cc1c[nH]nc1[C@H]1CCN(C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC000257271979 402711602 /nfs/dbraw/zinc/71/16/02/402711602.db2.gz NAOMFMNNMHVLCM-HNNXBMFYSA-N 1 0 304.438 2.154 40 0 DEABRO CCCc1cc(C(=O)N2CCC[C@@H]3[N@H+](C)CCC[C@@]32C)n(C)n1 ZINC000257331454 402711938 /nfs/dbraw/zinc/71/19/38/402711938.db2.gz XSXDYSULLMGQNL-WMZOPIPTSA-N 1 0 318.465 2.462 40 0 DEABRO CCN(CC[NH+](C)C)Cc1cnc([C@@]2(C)CCCCO2)nc1 ZINC000257203518 402702544 /nfs/dbraw/zinc/70/25/44/402702544.db2.gz AQKXAFQRFVHQHK-QGZVFWFLSA-N 1 0 306.454 2.276 40 0 DEABRO O=C(c1ccnc2ccncc21)N1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000333856749 403886559 /nfs/dbraw/zinc/88/65/59/403886559.db2.gz RCUOKGBANQOMNQ-CXAGYDPISA-N 1 0 310.401 2.234 40 0 DEABRO CC[NH+](CC)CCCN[C@@H](C)C(=O)N1CCc2ccccc21 ZINC000004969448 276325559 /nfs/dbraw/zinc/32/55/59/276325559.db2.gz VPWUSGPSEIQECA-HNNXBMFYSA-N 1 0 303.450 2.286 40 0 DEABRO CCc1cnc(N2CCC3(CC([NH+]4CCOCC4)C3)CC2)nc1 ZINC000096159236 276696830 /nfs/dbraw/zinc/69/68/30/276696830.db2.gz CSLOCAMRMMKPMH-UHFFFAOYSA-N 1 0 316.449 2.120 40 0 DEABRO COc1ccc([C@H]2Nc3ncnn3[C@@H](c3ccccc3)[C@H]2[NH3+])cc1 ZINC000035337497 277936279 /nfs/dbraw/zinc/93/62/79/277936279.db2.gz IWWSVINQONJVDG-BBWFWOEESA-N 1 0 321.384 2.370 40 0 DEABRO O=C(c1cccc2c1OCCO2)N1CCCC[C@H]2C[NH2+]CC[C@H]21 ZINC000257336087 304556853 /nfs/dbraw/zinc/55/68/53/304556853.db2.gz YNCDEXZMERTEDB-DZGCQCFKSA-N 1 0 316.401 2.062 40 0 DEABRO c1csc(C[NH2+][C@@H]2CCc3nc(N4CCCC4)ncc3C2)n1 ZINC000306137994 534522878 /nfs/dbraw/zinc/52/28/78/534522878.db2.gz RLUNHIYPAGBSMH-CYBMUJFWSA-N 1 0 315.446 2.180 40 0 DEABRO CCN(C[C@@H]1CCC[N@@H+]1CCO)C(=O)OCc1ccccc1 ZINC000079411022 185169804 /nfs/dbraw/zinc/16/98/04/185169804.db2.gz NPLCFBXMNVQOGA-INIZCTEOSA-N 1 0 306.406 2.102 40 0 DEABRO CCN(CC[NH3+])[C@@H]1CCCN(C(=O)OCc2ccccc2)C1 ZINC000079391784 185168401 /nfs/dbraw/zinc/16/84/01/185168401.db2.gz RVHXEKFSPXOJTR-MRXNPFEDSA-N 1 0 305.422 2.068 40 0 DEABRO CO[C@](C)(C(=O)Nc1ccc(OCC[NH+](C)C)cc1)C1CC1 ZINC000225643414 186286437 /nfs/dbraw/zinc/28/64/37/186286437.db2.gz VLFIXCFZWASZDL-KRWDZBQOSA-N 1 0 306.406 2.381 40 0 DEABRO C[C@@H]1C[N@@H+]2C[C@H](O)C[C@H]2CN1Cc1ccc(C(F)(F)F)cc1 ZINC000072324809 191123633 /nfs/dbraw/zinc/12/36/33/191123633.db2.gz MHFAOXYDHIKCLD-BYCMXARLSA-N 1 0 314.351 2.345 40 0 DEABRO CNC(=O)CCc1cc(C)nc([C@@H]2CCC[N@@H+](C(C)C)C2)n1 ZINC000072366390 191135309 /nfs/dbraw/zinc/13/53/09/191135309.db2.gz WAWSOQSFVQTWFG-CQSZACIVSA-N 1 0 304.438 2.051 40 0 DEABRO Cc1nnc(Nc2cccc(C3CC[NH+](CCO)CC3)n2)s1 ZINC000072380433 191141989 /nfs/dbraw/zinc/14/19/89/191141989.db2.gz MVGLGSJDFRJESC-UHFFFAOYSA-N 1 0 319.434 2.157 40 0 DEABRO C[N@@H+]1CCC[C@@H](Cc2cnc(C(=O)NCc3ccccc3)cn2)C1 ZINC000072382867 191142121 /nfs/dbraw/zinc/14/21/21/191142121.db2.gz ZAAIHRBOBYMRDL-INIZCTEOSA-N 1 0 324.428 2.291 40 0 DEABRO O=C1N(c2ncccn2)C[C@]12CCC[N@H+](CC1CCCCC1)C2 ZINC000585099507 357332687 /nfs/dbraw/zinc/33/26/87/357332687.db2.gz PHMZNESIOWHLBX-GOSISDBHSA-N 1 0 314.433 2.486 40 0 DEABRO C[N@@H+]1CCC[C@@H]1c1cccc(N2CC3(CCOCC3)OC2=O)n1 ZINC000585178809 357339969 /nfs/dbraw/zinc/33/99/69/357339969.db2.gz RJJSOQHNIVTABC-CQSZACIVSA-N 1 0 317.389 2.354 40 0 DEABRO CCC(CC)[N@@H+]1CCOC[C@](O)(COc2ccc(F)cc2)C1 ZINC000585276959 357342654 /nfs/dbraw/zinc/34/26/54/357342654.db2.gz SYZYUQMGKDYRTP-KRWDZBQOSA-N 1 0 311.397 2.456 40 0 DEABRO Cc1ccc2cc(C[NH2+]C[C@@H](O)COC(C)C)c(=O)[nH]c2c1 ZINC000585291677 357345691 /nfs/dbraw/zinc/34/56/91/357345691.db2.gz BAGSFKYBVPPWQC-OAHLLOKOSA-N 1 0 304.390 2.124 40 0 DEABRO CC(=O)NCc1cc([C@@H]2CCC[N@H+]2Cc2cccn2C)ccn1 ZINC000257278321 203006454 /nfs/dbraw/zinc/00/64/54/203006454.db2.gz OBUDBLHTABBWEB-SFHVURJKSA-N 1 0 312.417 2.393 40 0 DEABRO Cc1ccccc1CC(=O)N[C@@H]1CCC[C@@H]([NH+]2CCCC2)[C@@H]1O ZINC000257289136 203014654 /nfs/dbraw/zinc/01/46/54/203014654.db2.gz PXDCPNATYIWYKG-ZHALLVOQSA-N 1 0 316.445 2.032 40 0 DEABRO CCCS(=O)(=O)N1CCC[C@H]1c1ccc(C[NH+](C)C)cn1 ZINC000257309446 203035374 /nfs/dbraw/zinc/03/53/74/203035374.db2.gz UAZONGQGUKDGJL-HNNXBMFYSA-N 1 0 311.451 2.020 40 0 DEABRO CNc1cc(C)[nH+]c([C@@H]2CCN(C(=O)c3cc(C)on3)C2)c1 ZINC000257314516 203037769 /nfs/dbraw/zinc/03/77/69/203037769.db2.gz UXIKZEMYJNXZHZ-GFCCVEGCSA-N 1 0 300.362 2.358 40 0 DEABRO CCS(=O)(=O)[C@H](C)[C@H]([NH3+])c1ccc(Br)cc1 ZINC000096524812 193675859 /nfs/dbraw/zinc/67/58/59/193675859.db2.gz CVBJEZKZUVHGJG-KCJUWKMLSA-N 1 0 306.225 2.272 40 0 DEABRO COc1ccc(C[N@@H+]2CC[C@@H](c3cc(=O)[nH]c(C)n3)C2)c(F)c1 ZINC000019285248 182112105 /nfs/dbraw/zinc/11/21/05/182112105.db2.gz CWLBPYLNCWAVAS-CYBMUJFWSA-N 1 0 317.364 2.216 40 0 DEABRO COc1cccc(C[NH+]2CCC(O)(Cn3ccnc3C)CC2)c1 ZINC000019287990 182112507 /nfs/dbraw/zinc/11/25/07/182112507.db2.gz QJNVGQGSGZSQPU-UHFFFAOYSA-N 1 0 315.417 2.227 40 0 DEABRO CCC(CC)C(=O)N1CCC[C@@H](c2ncc3c(n2)CC[NH2+]C3)C1 ZINC000019500152 182126129 /nfs/dbraw/zinc/12/61/29/182126129.db2.gz AJVKTIDYXQTDQG-CQSZACIVSA-N 1 0 316.449 2.265 40 0 DEABRO CC[C@H](C)NC(=O)Cn1c([C@@H]2CCC[NH2+]C2)cc2cccnc21 ZINC000019499976 182126180 /nfs/dbraw/zinc/12/61/80/182126180.db2.gz GQZZUIPODBVWTQ-DZGCQCFKSA-N 1 0 314.433 2.418 40 0 DEABRO Cc1nc(-c2ccc(NC(=O)[C@@H]3C[NH2+]CCO3)cc2)cs1 ZINC000043800749 183386519 /nfs/dbraw/zinc/38/65/19/183386519.db2.gz RFTKWDDQJGQBDZ-AWEZNQCLSA-N 1 0 303.387 2.045 40 0 DEABRO CC(C)[NH+]1CCC(Cc2cc(N3CCOC3=O)ncn2)CC1 ZINC000257228836 256619632 /nfs/dbraw/zinc/61/96/32/256619632.db2.gz FVLOTIXZHRDFGF-UHFFFAOYSA-N 1 0 304.394 2.096 40 0 DEABRO CC(=O)N1CCN(c2ccc([C@H]([NH3+])c3ccccc3)c(C)n2)CC1 ZINC000072224786 257123683 /nfs/dbraw/zinc/12/36/83/257123683.db2.gz FBDOULYTEWWLEW-LJQANCHMSA-N 1 0 324.428 2.107 40 0 DEABRO [NH3+]C[C@@H]1[C@H](c2ccc(F)cc2)[C@H]1S(=O)(=O)c1ccccc1 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ZINC000096061550 402055426 /nfs/dbraw/zinc/05/54/26/402055426.db2.gz SVZYFELSPCFHAS-KRWDZBQOSA-N 1 0 322.412 2.115 40 0 DEABRO C1CC1c1nnc([C@H]2C[C@H]3C[N@@H+](C4CCOCC4)CC[C@@H]3O2)o1 ZINC000096070566 402056360 /nfs/dbraw/zinc/05/63/60/402056360.db2.gz QJSIITFHDYWZTN-AEGPPILISA-N 1 0 319.405 2.278 40 0 DEABRO c1coc(C[N@@H+]2CCO[C@@H]3CN(Cc4ccoc4)C[C@@H]3C2)c1 ZINC000096206353 402069681 /nfs/dbraw/zinc/06/96/81/402069681.db2.gz RIBATYPVQFJMOF-DOTOQJQBSA-N 1 0 302.374 2.205 40 0 DEABRO CN(C)C(=O)CN1CCC[C@@]12CCC[N@H+](Cc1cccs1)C2 ZINC000096214875 402070851 /nfs/dbraw/zinc/07/08/51/402070851.db2.gz MANWXQBPHMCVRI-QGZVFWFLSA-N 1 0 321.490 2.267 40 0 DEABRO CC[N@@H+]1CCOC[C@@]2(CCCN(C(=O)Cc3cccs3)C2)C1 ZINC000096228875 402072628 /nfs/dbraw/zinc/07/26/28/402072628.db2.gz LGNAMSQRGZNHGI-KRWDZBQOSA-N 1 0 322.474 2.252 40 0 DEABRO C[NH+](C)CCNC(=O)c1ccc2c(c1)onc2-c1nccs1 ZINC000096266625 402076254 /nfs/dbraw/zinc/07/62/54/402076254.db2.gz MRXIKWRYVFHTIX-UHFFFAOYSA-N 1 0 316.386 2.243 40 0 DEABRO Cn1ccnc1C[N@@H+]1CC[C@@]2(CCN(c3ccsc3)C2=O)C1 ZINC000096159539 402063317 /nfs/dbraw/zinc/06/33/17/402063317.db2.gz DMCAAEYZOYQDTP-MRXNPFEDSA-N 1 0 316.430 2.111 40 0 DEABRO Cc1ccc(C[N@H+]2C[C@H]3CN(c4ncc(F)cn4)C[C@H]3C2)cc1 ZINC000096161726 402064343 /nfs/dbraw/zinc/06/43/43/402064343.db2.gz RONMMDDOUFSMFS-IYBDPMFKSA-N 1 0 312.392 2.492 40 0 DEABRO COc1ccc(CN2Cc3nccn3C[C@@H](C[NH+](C)C)C2)cc1 ZINC000096188195 402066757 /nfs/dbraw/zinc/06/67/57/402066757.db2.gz ZAJPKOWINWUHAJ-INIZCTEOSA-N 1 0 314.433 2.085 40 0 DEABRO CC(C)[N@H+](C)Cc1cnc2n1CCN(Cc1cnn(C)c1)[C@@H]2C ZINC000096201200 402068090 /nfs/dbraw/zinc/06/80/90/402068090.db2.gz DKARPMWNLWXCEO-CQSZACIVSA-N 1 0 316.453 2.034 40 0 DEABRO Cc1nc(CN2CCC3(C[NH+](CC4CCOCC4)C3)C2)cs1 ZINC000096202517 402068722 /nfs/dbraw/zinc/06/87/22/402068722.db2.gz BVNOORPGMGNSCU-UHFFFAOYSA-N 1 0 321.490 2.386 40 0 DEABRO Fc1cnc(N2CC3(C2)CC[N@H+](Cc2ccsc2)C3)nc1 ZINC000096202757 402068748 /nfs/dbraw/zinc/06/87/48/402068748.db2.gz 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ZINC000107253928 402228532 /nfs/dbraw/zinc/22/85/32/402228532.db2.gz RGUFAYZKHCJREC-BJWYYQGGSA-N 1 0 308.385 2.183 40 0 DEABRO Cn1c(Cl)nc2ccc(C(=O)NCC[NH+]3CCCCC3)cc21 ZINC000225988072 402325384 /nfs/dbraw/zinc/32/53/84/402325384.db2.gz KUSPXZILLUUEOC-UHFFFAOYSA-N 1 0 320.824 2.442 40 0 DEABRO Cc1noc(C)c1CN1CCC[C@@]2(CC[N@@H+]([C@H]3CCOC3)C2)C1 ZINC000251983992 402651944 /nfs/dbraw/zinc/65/19/44/402651944.db2.gz GSXODXBUVBCPIB-FUHWJXTLSA-N 1 0 319.449 2.368 40 0 DEABRO OCCOc1cccc(C[N@@H+]2CCC[C@H](c3ccncn3)C2)c1 ZINC000257213624 402703981 /nfs/dbraw/zinc/70/39/81/402703981.db2.gz CIJSARDJTSIAIL-INIZCTEOSA-N 1 0 313.401 2.227 40 0 DEABRO Cc1ncsc1C[N@@H+]1C[C@@H](O)[C@H](Oc2cccc(F)c2)C1 ZINC000257243336 402707430 /nfs/dbraw/zinc/70/74/30/402707430.db2.gz IGMVOFFDMSCYOC-ZIAGYGMSSA-N 1 0 308.378 2.215 40 0 DEABRO Cc1ccccc1C[N@@H+]1CCOC[C@H](Cc2cc(=O)[nH]cn2)C1 ZINC000257262152 402709970 /nfs/dbraw/zinc/70/99/70/402709970.db2.gz LKIDXDVOSOEWFG-OAHLLOKOSA-N 1 0 313.401 2.182 40 0 DEABRO CC(=O)N1CCC([N@@H+]2CCC[C@H]2CCc2ccncc2)CC1 ZINC000257267197 402710846 /nfs/dbraw/zinc/71/08/46/402710846.db2.gz MGIJYPOLZIZNNS-KRWDZBQOSA-N 1 0 301.434 2.490 40 0 DEABRO Cc1ncc(C[N@@H+]2CCC[C@@H](c3ccc4c[nH]nc4n3)C2)cn1 ZINC000257266275 402710958 /nfs/dbraw/zinc/71/09/58/402710958.db2.gz MCGNWHLCDLNYTR-OAHLLOKOSA-N 1 0 308.389 2.436 40 0 DEABRO Cc1cc2cc(C(=O)N3C[C@@H](O)[C@H]([NH+]4CCCC4)C3)ccc2o1 ZINC000257331038 402712413 /nfs/dbraw/zinc/71/24/13/402712413.db2.gz XRDOTAIJYJGZIU-HZPDHXFCSA-N 1 0 314.385 2.022 40 0 DEABRO c1ncn2c1CN(CC1CCOCC1)C[C@H]2C[NH+]1CCCCC1 ZINC000253477671 402667500 /nfs/dbraw/zinc/66/75/00/402667500.db2.gz GZJFUPXZGBLLOB-GOSISDBHSA-N 1 0 318.465 2.152 40 0 DEABRO CCCn1cc(C[NH2+]Cc2cnn(CC(F)(F)F)c2)cn1 ZINC000256051349 402699901 /nfs/dbraw/zinc/69/99/01/402699901.db2.gz IULDGBWPWFKFEY-UHFFFAOYSA-N 1 0 301.316 2.342 40 0 DEABRO CC(=O)N1c2ccc([C@@H](O)C[NH+]3CCSCC3)cc2C[C@@H]1C ZINC000012146820 277021721 /nfs/dbraw/zinc/02/17/21/277021721.db2.gz HAFCIMVXAGBSSN-SJCJKPOMSA-N 1 0 320.458 2.066 40 0 DEABRO C[C@@H]1N(C)C(=O)COC12CC[NH+](Cc1ccc(F)cc1)CC2 ZINC000096201507 279024614 /nfs/dbraw/zinc/02/46/14/279024614.db2.gz XYDRMGLHCOXCBH-ZDUSSCGKSA-N 1 0 306.381 2.037 40 0 DEABRO Cc1cc(C(=O)N2Cc3ccnn3[C@@H](CC[NH+](C)C)C2)c(C)o1 ZINC000248111385 280345550 /nfs/dbraw/zinc/34/55/50/280345550.db2.gz KIJDDEINUADPPP-HNNXBMFYSA-N 1 0 316.405 2.242 40 0 DEABRO O=C(OCc1ccccc1)N1CCC[C@]2(COCC[NH2+]2)CC1 ZINC000306145611 534565673 /nfs/dbraw/zinc/56/56/73/534565673.db2.gz KMECBIMQBZPRHK-QGZVFWFLSA-N 1 0 304.390 2.168 40 0 DEABRO CC(C)[C@@H](NC[C@]1(O)CCC[N@H+](C)C1)c1nc2ccccc2[nH]1 ZINC000046087359 1078371333 /nfs/dbraw/zinc/37/13/33/1078371333.db2.gz KMUGKVDSUWVBCS-SJLPKXTDSA-N 1 0 316.449 2.306 40 0 DEABRO C[NH+]1CCC(C(=O)N2CCN(c3cccc(Cl)c3)CC2)CC1 ZINC000074707406 185010975 /nfs/dbraw/zinc/01/09/75/185010975.db2.gz HGXWJBUYHUGYQM-UHFFFAOYSA-N 1 0 321.852 2.330 40 0 DEABRO CC(C)N(C(=O)OCc1ccccc1)[C@@H]1CCC[N@H+](CCO)C1 ZINC000079411147 185170142 /nfs/dbraw/zinc/17/01/42/185170142.db2.gz NYQJXGOHNLAGIF-QGZVFWFLSA-N 1 0 320.433 2.490 40 0 DEABRO COC(=O)c1ccc(Cl)c(NC(=O)[C@@H]2CCC[N@H+](C)C2)c1 ZINC000082334702 185176127 /nfs/dbraw/zinc/17/61/27/185176127.db2.gz GZFBSXZGGSNROT-LLVKDONJSA-N 1 0 310.781 2.407 40 0 DEABRO Cc1cccc(C[NH+]2CCC3(CC(NC(=O)N(C)C)C3)CC2)n1 ZINC000108532392 185520236 /nfs/dbraw/zinc/52/02/36/185520236.db2.gz RULAMBHQXSBJDM-UHFFFAOYSA-N 1 0 316.449 2.406 40 0 DEABRO Cn1cccc1C[N@@H+]1CCc2nc(-c3ccncc3)[nH]c(=O)c2C1 ZINC000072339814 191126828 /nfs/dbraw/zinc/12/68/28/191126828.db2.gz LEHQXGBUXWBJMA-UHFFFAOYSA-N 1 0 321.384 2.141 40 0 DEABRO Cc1cncnc1C1CCN(C(=O)[C@@]2(C)CCCC[N@H+]2C)CC1 ZINC000072367291 191137801 /nfs/dbraw/zinc/13/78/01/191137801.db2.gz KYEBPTTZEFQHFH-GOSISDBHSA-N 1 0 316.449 2.365 40 0 DEABRO Cc1cccnc1Nc1nccc([C@H]2CCC[N@H+](CCO)C2)n1 ZINC000072377399 191139690 /nfs/dbraw/zinc/13/96/90/191139690.db2.gz MZDRZWGPBFOEBB-AWEZNQCLSA-N 1 0 313.405 2.095 40 0 DEABRO Cc1cc(C(=O)N2CCC[C@H](C)C2)nc(C2CC[NH+](C)CC2)n1 ZINC000072369292 191140008 /nfs/dbraw/zinc/14/00/08/191140008.db2.gz YHMSGJXYMHFOEL-ZDUSSCGKSA-N 1 0 316.449 2.466 40 0 DEABRO O=C(NCCC[NH+]1CCCC1)C1(c2ccccc2)CCOCC1 ZINC000075515380 191483249 /nfs/dbraw/zinc/48/32/49/191483249.db2.gz VBIZVDDIBLDTPF-UHFFFAOYSA-N 1 0 316.445 2.337 40 0 DEABRO C[NH+](C)CCCNC(=O)COc1ccc(Cl)cc1Cl ZINC000005508967 181251180 /nfs/dbraw/zinc/25/11/80/181251180.db2.gz YYMCEAPDIOAQMH-UHFFFAOYSA-N 1 0 305.205 2.440 40 0 DEABRO COCC[C@@H]1CCOC12CC[NH+](Cc1cccnc1OC)CC2 ZINC000585105559 357334258 /nfs/dbraw/zinc/33/42/58/357334258.db2.gz ZUAPZQMPQKTOEQ-MRXNPFEDSA-N 1 0 320.433 2.498 40 0 DEABRO CCOc1ccc2[nH]c(=O)c(C[NH2+]C[C@H]3CCCO3)cc2c1 ZINC000006493513 181345933 /nfs/dbraw/zinc/34/59/33/181345933.db2.gz RIXUAIMNEPAEHA-OAHLLOKOSA-N 1 0 302.374 2.195 40 0 DEABRO [NH3+]Cc1cnn(-c2ccccc2C(=O)NCc2ccccc2)c1 ZINC000257303780 203027072 /nfs/dbraw/zinc/02/70/72/203027072.db2.gz SIRSQCAYULCBQD-UHFFFAOYSA-N 1 0 306.369 2.261 40 0 DEABRO CCCS(=O)(=O)N1CCC[C@@H]1c1ccc(C[NH+](C)C)cn1 ZINC000257309447 203034117 /nfs/dbraw/zinc/03/41/17/203034117.db2.gz UAZONGQGUKDGJL-OAHLLOKOSA-N 1 0 311.451 2.020 40 0 DEABRO Cc1cc(CC2CC[NH+](CC(=O)N3CCCC3)CC2)ccn1 ZINC000257310147 203035398 /nfs/dbraw/zinc/03/53/98/203035398.db2.gz UDVUBPHMHYJHFD-UHFFFAOYSA-N 1 0 301.434 2.267 40 0 DEABRO COCc1cccc(C(=O)N2CCCC[C@H]3C[NH2+]CC[C@H]32)c1 ZINC000257317312 203039939 /nfs/dbraw/zinc/03/99/39/203039939.db2.gz VJFWGWIJKSKAOU-DLBZAZTESA-N 1 0 302.418 2.437 40 0 DEABRO CC1(c2ncc(C(N)=O)s2)CC[NH+](Cc2ccccn2)CC1 ZINC000257324373 203048851 /nfs/dbraw/zinc/04/88/51/203048851.db2.gz WOLASGFAVDKDOP-UHFFFAOYSA-N 1 0 316.430 2.191 40 0 DEABRO COc1ccc([C@H]2C[NH2+]CCN2C(=O)Cc2ccsc2)cc1 ZINC000257344242 203066205 /nfs/dbraw/zinc/06/62/05/203066205.db2.gz ZWFWPGSTTGCYFQ-MRXNPFEDSA-N 1 0 316.426 2.472 40 0 DEABRO Cc1cncc(C(=O)N2CC[C@@]3(C2)CCC[C@H](C[NH+](C)C)O3)c1 ZINC000096209204 193582676 /nfs/dbraw/zinc/58/26/76/193582676.db2.gz BZJSHTBRHACHQV-SJLPKXTDSA-N 1 0 317.433 2.105 40 0 DEABRO C[NH+](C)C[C@H]1CO[C@]2(C1)CCCN(C(=O)Cc1ccccc1)C2 ZINC000096228338 193592570 /nfs/dbraw/zinc/59/25/70/193592570.db2.gz PSICWPXMWHJSOJ-HKUYNNGSSA-N 1 0 316.445 2.188 40 0 DEABRO C[NH+](C)CCCNC(=O)CSc1ccc2ccccc2n1 ZINC000016163118 182035694 /nfs/dbraw/zinc/03/56/94/182035694.db2.gz PCTUHPUTPLGLDJ-UHFFFAOYSA-N 1 0 303.431 2.395 40 0 DEABRO O=C(Cc1ccccc1)N1CCc2nc([C@H]3CCC[NH2+]3)ncc2C1 ZINC000019370291 182120308 /nfs/dbraw/zinc/12/03/08/182120308.db2.gz QWQHUSWJOUAKBN-QGZVFWFLSA-N 1 0 322.412 2.029 40 0 DEABRO O=C1N[C@]2(CC[N@H+](Cc3ccncc3)C2)CCc2ccccc21 ZINC000019375274 182120886 /nfs/dbraw/zinc/12/08/86/182120886.db2.gz SCQVUZFHMVHKGY-IBGZPJMESA-N 1 0 307.397 2.402 40 0 DEABRO OC1(Cn2ccc3ccncc32)CC[NH+](Cc2ccccn2)CC1 ZINC000019401551 182122041 /nfs/dbraw/zinc/12/20/41/182122041.db2.gz UTCVXTPKVNWRCD-UHFFFAOYSA-N 1 0 322.412 2.458 40 0 DEABRO CCc1nccn1C[C@@H](C)C(=O)N[C@@H](C)C[NH+]1CCCCCC1 ZINC000019523581 182128643 /nfs/dbraw/zinc/12/86/43/182128643.db2.gz UFQKDAYYYGGMRY-CVEARBPZSA-N 1 0 320.481 2.462 40 0 DEABRO CN(CC[NH+]1CCCCC1)C(=O)c1cc(-c2cccnc2)n[nH]1 ZINC000019657677 182135529 /nfs/dbraw/zinc/13/55/29/182135529.db2.gz QCBAMQHYMWDMEI-UHFFFAOYSA-N 1 0 313.405 2.030 40 0 DEABRO CCCc1ncc(C[N@@H+]2CCCC[C@H]2CCNC(C)=O)cn1 ZINC000019745846 182142244 /nfs/dbraw/zinc/14/22/44/182142244.db2.gz KZWTXKSFQSYVBV-INIZCTEOSA-N 1 0 304.438 2.310 40 0 DEABRO CN(CC[NH+]1CCCCC1)Cc1ccnn1[C@H]1CCCCO1 ZINC000022916169 182341116 /nfs/dbraw/zinc/34/11/16/182341116.db2.gz STTNLKPRPHQFDP-QGZVFWFLSA-N 1 0 306.454 2.500 40 0 DEABRO CC[N@@H+]1CCC[C@H]1CN(Cc1cnn(C)c1)Cc1ccco1 ZINC000022916097 182341156 /nfs/dbraw/zinc/34/11/56/182341156.db2.gz ULMXWFLFXJPBEK-INIZCTEOSA-N 1 0 302.422 2.500 40 0 DEABRO CC[N@@H+]1CCC[C@H]1CNCc1cc2cc(OC)ccc2[nH]c1=O ZINC000023247903 182355030 /nfs/dbraw/zinc/35/50/30/182355030.db2.gz CGBQMUAOULFRLA-HNNXBMFYSA-N 1 0 315.417 2.111 40 0 DEABRO CC(C)[NH+]1CCC(Cc2cc(N3C[C@@H](C)OC3=O)ncn2)CC1 ZINC000257284557 256621704 /nfs/dbraw/zinc/62/17/04/256621704.db2.gz PDDBHPQMZHFIIE-CYBMUJFWSA-N 1 0 318.421 2.485 40 0 DEABRO CC(=O)N1CCN(c2ncc([C@H]([NH3+])c3ccccc3)cc2C)CC1 ZINC000072222699 257123780 /nfs/dbraw/zinc/12/37/80/257123780.db2.gz LCYFRZLCMWZPMO-GOSISDBHSA-N 1 0 324.428 2.107 40 0 DEABRO Cc1occc1C(=O)N1C[C@H]2C[NH+](Cc3ccccn3)C[C@@H]2C1 ZINC000096110643 257134803 /nfs/dbraw/zinc/13/48/03/257134803.db2.gz AFZOOEWTNSMXHW-HUUCEWRRSA-N 1 0 311.385 2.187 40 0 DEABRO C[C@@H](COc1ccccc1)[NH2+][C@@H](CO)[C@H](O)c1ccccc1 ZINC000000004753 401687380 /nfs/dbraw/zinc/68/73/80/401687380.db2.gz DQAFKLGCFBLEOM-JCGIZDLHSA-N 1 0 301.386 2.138 40 0 investigational DEABRO COc1cccc(C(=O)NCC[NH+]2CCCCCC2)c1OC ZINC000071884764 401692425 /nfs/dbraw/zinc/69/24/25/401692425.db2.gz TYTSTUOADAYMAE-UHFFFAOYSA-N 1 0 306.406 2.310 40 0 DEABRO CCC[NH2+]C[C@H](O)COc1ccc2c3c(c(=O)oc2c1)CCC3 ZINC000001590603 401709264 /nfs/dbraw/zinc/70/92/64/401709264.db2.gz MDRIKKUAZCPOBY-LBPRGKRZSA-N 1 0 317.385 2.021 40 0 DEABRO CC[N@H+]1CC=C(c2nn3c(nnc3C(F)(F)F)s2)CC1 ZINC000073636205 401719559 /nfs/dbraw/zinc/71/95/59/401719559.db2.gz UIFCFLPEEHGWKG-UHFFFAOYSA-N 1 0 303.313 2.314 40 0 DEABRO COC(=O)c1ccc(OC[C@H](O)C[NH+]2CCCCCC2)cc1 ZINC000026781716 401842317 /nfs/dbraw/zinc/84/23/17/401842317.db2.gz RIENPVUVSQWIPH-OAHLLOKOSA-N 1 0 307.390 2.089 40 0 DEABRO CC(C)[N@@H+](Cc1ccccc1)C[C@@H]1CCCN(C(=O)[C@H](C)[NH3+])C1 ZINC000079415550 401872955 /nfs/dbraw/zinc/87/29/55/401872955.db2.gz LVXROEGSEFOWCH-FUHWJXTLSA-N 1 0 317.477 2.483 40 0 DEABRO O=C(C1CCC1)N1C[C@@H]2C[N@H+](Cc3cccs3)CCO[C@@H]2C1 ZINC000096108179 402059806 /nfs/dbraw/zinc/05/98/06/402059806.db2.gz YLWPWSOQADVFDF-GOEBONIOSA-N 1 0 320.458 2.207 40 0 DEABRO c1cc(CN2CCO[C@H]3[C@H](Oc4cccnc4)CC[C@@H]32)co1 ZINC000096041679 402048979 /nfs/dbraw/zinc/04/89/79/402048979.db2.gz QQRTWOXFNNNPDD-GVDBMIGSSA-N 1 0 300.358 2.485 40 0 DEABRO Cn1ccc(C(=O)N[C@H]2CCC23CC[NH+](CC2CC2)CC3)c1 ZINC000096051729 402051628 /nfs/dbraw/zinc/05/16/28/402051628.db2.gz PEVCKBBOFWVAJW-INIZCTEOSA-N 1 0 301.434 2.410 40 0 DEABRO Cn1cc(N2CC[C@@]3(CC[N@H+](Cc4cccs4)C3)C2=O)cn1 ZINC000096050510 402052129 /nfs/dbraw/zinc/05/21/29/402052129.db2.gz AMXFRGZCEVQULC-MRXNPFEDSA-N 1 0 316.430 2.111 40 0 DEABRO Cc1ccc(C[N@H+]2C[C@@H](N3CCCC3=O)[C@H]3OCCC[C@H]3C2)o1 ZINC000096057104 402053287 /nfs/dbraw/zinc/05/32/87/402053287.db2.gz JQJVDXNPJZMNCS-LESCRADOSA-N 1 0 318.417 2.190 40 0 DEABRO Cc1noc([C@H]2CC[C@@H]3[C@@H](CC[N@@H+]3CC3CCOCC3)O2)n1 ZINC000096057524 402053677 /nfs/dbraw/zinc/05/36/77/402053677.db2.gz OVSNYMGVWIFUDT-RBSFLKMASA-N 1 0 307.394 2.099 40 0 DEABRO C[C@H]1C[N@H+](CC2CC2)CC[C@]12CC[C@@H](C(=O)NCC1CC1)O2 ZINC000096061303 402055113 /nfs/dbraw/zinc/05/51/13/402055113.db2.gz MNIXOIYNFUSWQU-QANKJYHBSA-N 1 0 306.450 2.182 40 0 DEABRO C[NH+](C)[C@H]1COC2(C1)CCN(C(=O)Cc1cccc(F)c1)CC2 ZINC000096063051 402055695 /nfs/dbraw/zinc/05/56/95/402055695.db2.gz ZBDXXRWSHBIBMM-MRXNPFEDSA-N 1 0 320.408 2.080 40 0 DEABRO CC(C)C[NH+]1CC2(C1)CCN(S(=O)(=O)c1ccccc1)C2 ZINC000096070725 402056456 /nfs/dbraw/zinc/05/64/56/402056456.db2.gz MSGDKRZFCVVFHZ-UHFFFAOYSA-N 1 0 308.447 2.039 40 0 DEABRO C[N@H+](C1CC1)[C@@H]1COC2(C1)CCN(Cc1nccs1)CC2 ZINC000096074185 402056924 /nfs/dbraw/zinc/05/69/24/402056924.db2.gz ONZONXGNXVNSSS-AWEZNQCLSA-N 1 0 307.463 2.361 40 0 DEABRO Fc1cccc(C[N@H+]2C[C@@H]3[C@H](C2)OCCN3c2cccnc2)c1 ZINC000096081751 402057812 /nfs/dbraw/zinc/05/78/12/402057812.db2.gz PAUGOPMACXFJNP-MSOLQXFVSA-N 1 0 313.376 2.310 40 0 DEABRO CN(C)c1ncc2c(n1)[C@]1(CC[N@H+](Cc3ccccc3)C1)COC2 ZINC000096100221 402058303 /nfs/dbraw/zinc/05/83/03/402058303.db2.gz JCODWVZWEUWPTI-IBGZPJMESA-N 1 0 324.428 2.217 40 0 DEABRO Cc1nc(CN2CCC3(C[NH+](Cc4cccn4C)C3)C2)cs1 ZINC000096202521 402069067 /nfs/dbraw/zinc/06/90/67/402069067.db2.gz NCRDTHCNVFQTFH-UHFFFAOYSA-N 1 0 316.474 2.498 40 0 DEABRO Cc1ccsc1C[N@H+]1C[C@@H]2C[C@H](CC(=O)N(C)C)O[C@@H]2C1 ZINC000096207799 402069767 /nfs/dbraw/zinc/06/97/67/402069767.db2.gz LTUBUTLEHIMGBK-BFHYXJOUSA-N 1 0 308.447 2.124 40 0 DEABRO Cc1cc(C)cc(C[N@H+]2C[C@@H]3COC[C@]3(CC(=O)N(C)C)C2)c1 ZINC000096206368 402069788 /nfs/dbraw/zinc/06/97/88/402069788.db2.gz OWBQVFSPFZHEOJ-MJGOQNOKSA-N 1 0 316.445 2.230 40 0 DEABRO CN(C)C(=O)N1CCC[C@]2(CC[N@H+](Cc3ccncc3)C2)C1 ZINC000096215523 402070316 /nfs/dbraw/zinc/07/03/16/402070316.db2.gz WRMWIKZDWHHYIZ-QGZVFWFLSA-N 1 0 302.422 2.051 40 0 DEABRO CS(=O)(=O)N1CCC[C@@]12CCC[N@H+](Cc1cccs1)C2 ZINC000096215036 402070320 /nfs/dbraw/zinc/07/03/20/402070320.db2.gz HCLINGHQBJWCSW-CQSZACIVSA-N 1 0 314.476 2.138 40 0 DEABRO COC[C@@H]1C[N@H+](C)C[C@@]12CCN(C(=O)c1ccc(Cl)cc1)C2 ZINC000096217659 402071313 /nfs/dbraw/zinc/07/13/13/402071313.db2.gz HWZFYHDKXVVUHG-WMLDXEAASA-N 1 0 322.836 2.380 40 0 DEABRO c1coc(C[N@H+]2CC[C@@]3(C2)CCC[C@H](CN2CCOCC2)O3)c1 ZINC000096218962 402071536 /nfs/dbraw/zinc/07/15/36/402071536.db2.gz CYMDEWUYSBCGPB-QZTJIDSGSA-N 1 0 320.433 2.125 40 0 DEABRO C[NH+](C)C[C@@H]1CO[C@]2(C1)CCCN(C(=O)Cc1ccccc1)C2 ZINC000096228339 402072729 /nfs/dbraw/zinc/07/27/29/402072729.db2.gz PSICWPXMWHJSOJ-MJGOQNOKSA-N 1 0 316.445 2.188 40 0 DEABRO Cc1nc2c(c(NC(C)C)n1)CC[N@@H+](C1CCOCC1)CC2 ZINC000096254627 402074906 /nfs/dbraw/zinc/07/49/06/402074906.db2.gz MSKURDLYDCTMDS-UHFFFAOYSA-N 1 0 304.438 2.185 40 0 DEABRO C[N@H+]1C[C@H]2CN(C(=O)NCc3ccccc3)C[C@@H](C1)C2(F)F ZINC000096261717 402076193 /nfs/dbraw/zinc/07/61/93/402076193.db2.gz HVKQIDCPGNDDFW-OKILXGFUSA-N 1 0 309.360 2.025 40 0 DEABRO CC(C)(C)c1cc(C[C@@H]2CC[C@H](O)[C@@H](C[NH2+]CC3CC3)O2)no1 ZINC000096296010 402076756 /nfs/dbraw/zinc/07/67/56/402076756.db2.gz KBIWZCOYZWVLST-HRCADAONSA-N 1 0 322.449 2.423 40 0 biogenic,in-vitro DEABRO CC(C)[NH2+]C[C@H]1Cn2c(-c3ccc4c(c3)OCO4)cnc2CO1 ZINC000096296392 402076796 /nfs/dbraw/zinc/07/67/96/402076796.db2.gz SCLQDYWAIPEKCX-ZDUSSCGKSA-N 1 0 315.373 2.176 40 0 biogenic,in-vitro DEABRO c1ccc(C[N@@H+]2CC[C@]3(C2)CCCN(c2ncccn2)C3)nc1 ZINC000096158248 402063323 /nfs/dbraw/zinc/06/33/23/402063323.db2.gz BWBWHHHLUAEFKC-SFHVURJKSA-N 1 0 309.417 2.364 40 0 DEABRO Cn1ccnc1CN1C[C@@H]2C[N@@H+](Cc3cccs3)C[C@@H]2C1 ZINC000096161551 402064089 /nfs/dbraw/zinc/06/40/89/402064089.db2.gz AOEZZATUTTVTBJ-OKILXGFUSA-N 1 0 302.447 2.045 40 0 DEABRO CC(C)NC(=O)N1CCn2c(C[N@H+](C)C(C)C)cnc2[C@H]1C ZINC000096201236 402068174 /nfs/dbraw/zinc/06/81/74/402068174.db2.gz QGZOBLRKYACFAX-CYBMUJFWSA-N 1 0 307.442 2.218 40 0 DEABRO O=C(N[C@@H]1C[N@H+](Cc2ccoc2)C[C@@H]2CCCO[C@H]12)C1CCC1 ZINC000097953471 402133548 /nfs/dbraw/zinc/13/35/48/402133548.db2.gz BDZMWDMBUFWSDS-BBWFWOEESA-N 1 0 318.417 2.175 40 0 DEABRO CN(C)C(=O)N[C@@H]1CCOC2(CC[NH+](Cc3ccco3)CC2)C1 ZINC000108533636 402256320 /nfs/dbraw/zinc/25/63/20/402256320.db2.gz FQFGJBVLOPJMAB-CQSZACIVSA-N 1 0 321.421 2.064 40 0 DEABRO Cc1cccc(C(=O)N2CCC3(CC2)C[C@@H]([NH+](C)C)CCO3)n1 ZINC000108532630 402256420 /nfs/dbraw/zinc/25/64/20/402256420.db2.gz ZOSYSIQRLKZSDO-HNNXBMFYSA-N 1 0 317.433 2.105 40 0 DEABRO CNC(=O)[C@@H]1CCC[C@]12CC[N@H+](Cc1cncc(Cl)c1)C2 ZINC000108536603 402256752 /nfs/dbraw/zinc/25/67/52/402256752.db2.gz MUVJEMMNVKZFFE-GOEBONIOSA-N 1 0 307.825 2.473 40 0 DEABRO C[NH+](C)C[C@H]1CN(C(=O)CC2=CCCCC2)Cc2ccnn21 ZINC000248137267 402583361 /nfs/dbraw/zinc/58/33/61/402583361.db2.gz RXZZXYPXGRKMPH-INIZCTEOSA-N 1 0 302.422 2.219 40 0 DEABRO CC(C)C(=O)NC[C@@H]1CO[C@@H]2C[N@H+](Cc3cccc(F)c3)C[C@H]12 ZINC000248178423 402584962 /nfs/dbraw/zinc/58/49/62/402584962.db2.gz XDZPSEGOWDFIBO-DJIMGWMZSA-N 1 0 320.408 2.045 40 0 DEABRO CNc1cc(C)[nH+]c([C@H]2CN(C(=O)c3ccccn3)CCO2)c1 ZINC000257223659 402705136 /nfs/dbraw/zinc/70/51/36/402705136.db2.gz DYIZOPLTPRRUIE-MRXNPFEDSA-N 1 0 312.373 2.040 40 0 DEABRO O=C(C[N@@H+]1CCC[C@@H]1CCc1ccncc1)N1CCCCC1 ZINC000257230272 402706294 /nfs/dbraw/zinc/70/62/94/402706294.db2.gz GBNJQGNUUQAAKE-QGZVFWFLSA-N 1 0 301.434 2.491 40 0 DEABRO CN1C(=O)CCC[C@H]2C[N@@H+](CCOc3ccccc3)CC[C@H]21 ZINC000257257481 402709727 /nfs/dbraw/zinc/70/97/27/402709727.db2.gz KPUQIQGGMUDERQ-DOTOQJQBSA-N 1 0 302.418 2.398 40 0 DEABRO c1cc2n(n1)[C@@H](CC[NH+]1CCCCC1)CN(C1CCOCC1)C2 ZINC000253588468 402669355 /nfs/dbraw/zinc/66/93/55/402669355.db2.gz DPUXDYPNKSFAIF-SFHVURJKSA-N 1 0 318.465 2.295 40 0 DEABRO c1coc(CN2CCOC[C@@]3(CC[C@@H](C[NH+]4CCCC4)O3)C2)c1 ZINC000253595513 402669608 /nfs/dbraw/zinc/66/96/08/402669608.db2.gz FKQGPLZKGBJISZ-ZWKOTPCHSA-N 1 0 320.433 2.125 40 0 DEABRO CNc1nc(N2CCc3cc([C@H](C)O)ccc3C2)cc(C2CC2)[nH+]1 ZINC000329021745 424903155 /nfs/dbraw/zinc/90/31/55/424903155.db2.gz OILIWZPARYEADC-LBPRGKRZSA-N 1 0 324.428 3.012 40 0 DEABRO COc1ccc(C[NH2+]C[C@H]2COCc3nc4cccnc4n32)cc1 ZINC000096112784 274110510 /nfs/dbraw/zinc/11/05/10/274110510.db2.gz BUXARUCBHMQPMF-AWEZNQCLSA-N 1 0 324.384 2.301 40 0 biogenic,in-vitro DEABRO CC(C)(CO)[NH2+]C[C@@H](O)CCO[C@@H]1C[C@H]2CC[C@]1(C)C2(C)C ZINC000035075035 277304122 /nfs/dbraw/zinc/30/41/22/277304122.db2.gz NMPWWLKZCVZQAN-FSZRXZPDSA-N 1 0 313.482 2.329 40 0 DEABRO COc1cc(N2C[C@H]3CCC[C@@H](C[N@H+](C)C4CC4)[C@H]3C2)ncn1 ZINC000096081902 277382470 /nfs/dbraw/zinc/38/24/70/277382470.db2.gz GDAFETOUXUVKQD-SQWLQELKSA-N 1 0 316.449 2.432 40 0 DEABRO COc1ccc(-c2cc3nc([C@H]4CCC[NH2+]C4)cc(N)n3n2)cc1 ZINC000012328927 277859673 /nfs/dbraw/zinc/85/96/73/277859673.db2.gz DIKSULZGLAKDJL-ZDUSSCGKSA-N 1 0 323.400 2.454 40 0 DEABRO CC[C@H](c1nnnn1C(C)(C)C)N1CC[NH+](C2CCCC2)CC1 ZINC000019500569 281029687 /nfs/dbraw/zinc/02/96/87/281029687.db2.gz GMLUXTKWFLFVSC-OAHLLOKOSA-N 1 0 320.485 2.439 40 0 DEABRO [NH3+]C[C@H]1CCN(c2ccc(Oc3ccccc3)cc2)S1(=O)=O ZINC000222545230 518197458 /nfs/dbraw/zinc/19/74/58/518197458.db2.gz IMBWCCNIBIKTRS-MRXNPFEDSA-N 1 0 318.398 2.346 40 0 DEABRO NC(=O)c1cccc2cn(C3C=CC(=C4CCC[NH2+]C4)C=C3)nc21 ZINC001560405155 1075139774 /nfs/dbraw/zinc/13/97/74/1075139774.db2.gz DQIKAAJJWVIUKD-UHFFFAOYSA-N 1 0 319.388 2.321 40 0 DEABRO [NH3+]CCN(C1CC1)[C@H]1CCCN(C(=O)OCc2ccccc2)C1 ZINC000079391862 185168272 /nfs/dbraw/zinc/16/82/72/185168272.db2.gz BEOFPMBIXLIWGN-KRWDZBQOSA-N 1 0 317.433 2.211 40 0 DEABRO CCN(CC[NH3+])C[C@H]1CCCN1C(=O)OCc1ccccc1 ZINC000079391780 185168527 /nfs/dbraw/zinc/16/85/27/185168527.db2.gz MLAIDEXCSDRSAA-MRXNPFEDSA-N 1 0 305.422 2.068 40 0 DEABRO CN(CC[NH3+])C[C@@H]1CCCCN1C(=O)OCc1ccccc1 ZINC000079391750 185168578 /nfs/dbraw/zinc/16/85/78/185168578.db2.gz GPFNRZGXCWCEKK-INIZCTEOSA-N 1 0 305.422 2.068 40 0 DEABRO CN(CC[NH3+])C[C@H]1CCCCN1C(=O)OCc1ccccc1 ZINC000079391752 185168675 /nfs/dbraw/zinc/16/86/75/185168675.db2.gz GPFNRZGXCWCEKK-MRXNPFEDSA-N 1 0 305.422 2.068 40 0 DEABRO c1cncc(CNc2ccc3nc(C4CC[NH2+]CC4)nn3c2)c1 ZINC000107487984 185481747 /nfs/dbraw/zinc/48/17/47/185481747.db2.gz GKEXGSWEVOVLDU-UHFFFAOYSA-N 1 0 308.389 2.203 40 0 DEABRO CC(C)(C)c1cc(CC2([NH2+]C3CCC(CO)CC3)COC2)no1 ZINC000072321914 191121780 /nfs/dbraw/zinc/12/17/80/191121780.db2.gz UQBOTIUWMHIONT-UHFFFAOYSA-N 1 0 322.449 2.424 40 0 biogenic,in-vitro DEABRO COC[C@@H]1CN(C(C)=O)CC[N@H+](CCCc2ccccc2)C1 ZINC000072354484 191128793 /nfs/dbraw/zinc/12/87/93/191128793.db2.gz PXBOEUCGURZMJC-SFHVURJKSA-N 1 0 304.434 2.046 40 0 DEABRO C[N@@H+]1CCCC[C@@]1(C)C(=O)N1CCC(Cc2cccnn2)CC1 ZINC000072367355 191136886 /nfs/dbraw/zinc/13/68/86/191136886.db2.gz HNYXRCLJROKXNC-SFHVURJKSA-N 1 0 316.449 2.132 40 0 DEABRO Cc1nnc(Nc2cccc([C@H]3CCC[N@H+](CCO)C3)n2)s1 ZINC000072383044 191142344 /nfs/dbraw/zinc/14/23/44/191142344.db2.gz LPEVXYIWZHLLKQ-LBPRGKRZSA-N 1 0 319.434 2.157 40 0 DEABRO Cc1nc(C(=O)NC2CCCC2)cc(C2CC[NH+](C)CC2)n1 ZINC000072382784 191143339 /nfs/dbraw/zinc/14/33/39/191143339.db2.gz PCOMSDZFZCOGSF-UHFFFAOYSA-N 1 0 302.422 2.267 40 0 DEABRO COCC[N@@H+]1CCC[C@@H](c2cncc(Oc3cccnc3)n2)C1 ZINC000072383547 191143822 /nfs/dbraw/zinc/14/38/22/191143822.db2.gz DYLZSZAAOQCMLZ-CQSZACIVSA-N 1 0 314.389 2.490 40 0 DEABRO [NH3+]C[C@H]1[C@@H](c2ccc(F)cc2)[C@@H]1S(=O)(=O)c1ccccc1 ZINC000218627400 356273464 /nfs/dbraw/zinc/27/34/64/356273464.db2.gz BCMYXZPPJCITDG-ARFHVFGLSA-N 1 0 305.374 2.340 40 0 DEABRO Cc1ccc(O[C@@H]2CCC[C@H](C[NH2+]Cc3cc[nH]n3)[C@H]2O)cc1 ZINC000585286567 357344283 /nfs/dbraw/zinc/34/42/83/357344283.db2.gz LUDWJTNOKNLWTP-ZTFGCOKTSA-N 1 0 315.417 2.416 40 0 DEABRO CO[C@H]1CCCN(C(=O)/C=C/C[NH+](C)C)[C@H]1Cc1ccccc1 ZINC000585289675 357344563 /nfs/dbraw/zinc/34/45/63/357344563.db2.gz LVSQZNLGCZZAAA-UFBUJHCKSA-N 1 0 316.445 2.353 40 0 DEABRO CO[C@@H]1COC[C@@H]([N@H+](C)Cc2ccc3cc[nH]c3c2)[C@@H]1OC ZINC000585291650 357346123 /nfs/dbraw/zinc/34/61/23/357346123.db2.gz RBOKXSSALOWQGR-ZACQAIPSSA-N 1 0 304.390 2.029 40 0 DEABRO NC(=[NH2+])NCc1c(Br)cccc1Br ZINC000228914784 283262357 /nfs/dbraw/zinc/26/23/57/283262357.db2.gz DEQLOVNVRCCANA-UHFFFAOYSA-N 1 0 306.989 2.195 40 0 DEABRO O[C@H]1CC[N@H+](CCc2ccc(F)cc2)CC[C@@H]1n1ccnc1 ZINC000257272535 203001378 /nfs/dbraw/zinc/00/13/78/203001378.db2.gz NCTHBIXBFCHBIG-IRXDYDNUSA-N 1 0 303.381 2.263 40 0 DEABRO CC(=O)NCc1cccc([C@H]2CCC[N@@H+]2Cc2cccnc2)n1 ZINC000257296757 203021391 /nfs/dbraw/zinc/02/13/91/203021391.db2.gz REGVCFGCGHDTRA-GOSISDBHSA-N 1 0 310.401 2.450 40 0 DEABRO Cn1nccc1C(=O)N1C[C@@H](c2ccccc2)[C@@H]2[NH2+]CCCC[C@@H]21 ZINC000257302480 203027631 /nfs/dbraw/zinc/02/76/31/203027631.db2.gz SDCAACMUVMRNAP-BQFCYCMXSA-N 1 0 324.428 2.170 40 0 DEABRO CC(=O)NCc1cccc([C@H]2CCC[N@@H+]2CC2CCOCC2)n1 ZINC000257290484 203014660 /nfs/dbraw/zinc/01/46/60/203014660.db2.gz QDDNMIOMCZWZOG-GOSISDBHSA-N 1 0 317.433 2.281 40 0 DEABRO COc1ccc(C(=O)N2CC[C@H]3[NH2+]CCCC[C@H]3C2)cc1F ZINC000257326769 203051608 /nfs/dbraw/zinc/05/16/08/203051608.db2.gz WYNJXKQIHNRJIZ-DZGCQCFKSA-N 1 0 306.381 2.439 40 0 DEABRO NC(=O)c1cc(C[C@@H]2CCC[N@H+](Cc3ccccc3)CC2)ncn1 ZINC000257313742 203038198 /nfs/dbraw/zinc/03/81/98/203038198.db2.gz UTXRJJVFGSCBET-OAHLLOKOSA-N 1 0 324.428 2.420 40 0 DEABRO CC(C)(C)C[NH+]1C[C@@H]2CN(S(=O)(=O)c3ccccc3)C[C@H]2C1 ZINC000096080855 193528700 /nfs/dbraw/zinc/52/87/00/193528700.db2.gz CGUJTFVVHLJKPS-HUUCEWRRSA-N 1 0 322.474 2.285 40 0 DEABRO O=C(NCCNc1cc[nH+]cc1)[C@H]1CC[C@@H]1c1ccc(F)cc1 ZINC000530262711 284389573 /nfs/dbraw/zinc/38/95/73/284389573.db2.gz XTUCPZGVHJMGRE-SJORKVTESA-N 1 0 313.376 2.365 40 0 DEABRO OC1CC[NH+](Cc2c3cccnc3[nH]c2[C@H]2CCCO2)CC1 ZINC000019345183 182117938 /nfs/dbraw/zinc/11/79/38/182117938.db2.gz OOPGUGOVQPNFPJ-OAHLLOKOSA-N 1 0 301.390 2.371 40 0 DEABRO CCc1nccn1C[C@H](C)C(=O)N[C@H](C)C[NH+]1CCCCCC1 ZINC000019523584 182128718 /nfs/dbraw/zinc/12/87/18/182128718.db2.gz UFQKDAYYYGGMRY-JKSUJKDBSA-N 1 0 320.481 2.462 40 0 DEABRO Cc1nc(N2CC[NH+](C)CC2)ccc1CNC(=O)OC(C)(C)C ZINC000072224643 257123333 /nfs/dbraw/zinc/12/33/33/257123333.db2.gz XGKVIKDZOHCZKC-UHFFFAOYSA-N 1 0 320.437 2.167 40 0 DEABRO CC(=O)N1CCCC[C@H]1c1ccc(N2CCOCC2)nc1C ZINC000072219659 257124074 /nfs/dbraw/zinc/12/40/74/257124074.db2.gz BWRSVIUUQDYKLB-INIZCTEOSA-N 1 0 303.406 2.300 40 0 DEABRO O=C(C[C@H](c1ccccc1)[C@H]1CCC[NH2+]C1)N1CCOCC1 ZINC000072208353 257127965 /nfs/dbraw/zinc/12/79/65/257127965.db2.gz AJUDMAFXEWVXJJ-DLBZAZTESA-N 1 0 302.418 2.019 40 0 DEABRO CC[NH+](CC)CCCNC(=O)c1c(N)cnn1C1CCCC1 ZINC000685936336 542767942 /nfs/dbraw/zinc/76/79/42/542767942.db2.gz RMSIPTHRJXSRFI-UHFFFAOYSA-N 1 0 307.442 2.042 40 0 DEABRO CN(C(=O)c1cccc(OC(F)(F)F)c1)[C@@H](C[NH3+])C1CC1 ZINC000261790715 145226819 /nfs/dbraw/zinc/22/68/19/145226819.db2.gz XTHRRIPPHGQXBI-LBPRGKRZSA-N 1 0 302.296 2.395 40 0 DEABRO NC(=O)c1cccc(C[NH2+]Cc2ccc3c(c2)OCCCO3)c1 ZINC000077221096 401807174 /nfs/dbraw/zinc/80/71/74/401807174.db2.gz OYNNFCHGEUAJDK-UHFFFAOYSA-N 1 0 312.369 2.237 40 0 DEABRO COc1ccc(NC(=S)NC[C@@H]2CCC[N@H+](C)C2)c(OC)c1 ZINC000009876237 401766240 /nfs/dbraw/zinc/76/62/40/401766240.db2.gz GFSUWWXKWYOCMW-LBPRGKRZSA-N 1 0 323.462 2.332 40 0 DEABRO CC1CC[NH+](Cc2ccc(C(=O)N3CCOCC3)cc2)CC1 ZINC000020045458 401823159 /nfs/dbraw/zinc/82/31/59/401823159.db2.gz AZMKRSMSBHYIIR-UHFFFAOYSA-N 1 0 302.418 2.391 40 0 DEABRO CC[NH+]1CCN(C[C@@H](O)COc2ccc(C(C)C)cc2)CC1 ZINC000022590105 401827042 /nfs/dbraw/zinc/82/70/42/401827042.db2.gz GCCMKYCLVSYMRI-QGZVFWFLSA-N 1 0 306.450 2.187 40 0 DEABRO C[C@@H](C(=O)N1CCCCC1)N1CCC([NH+]2CCCCC2)CC1 ZINC000026439436 401840303 /nfs/dbraw/zinc/84/03/03/401840303.db2.gz NFYDAMWQHAUDID-INIZCTEOSA-N 1 0 307.482 2.338 40 0 DEABRO CC(C)C(=O)Nc1cc(N2CC[NH+](C)CC2)c(N)cc1Cl ZINC000045891808 401963360 /nfs/dbraw/zinc/96/33/60/401963360.db2.gz CPPNXJHIJUVONO-UHFFFAOYSA-N 1 0 310.829 2.269 40 0 DEABRO c1ccc(O[C@H]2COC3(C2)CC[NH+](C2CCOCC2)CC3)nc1 ZINC000096110829 402060322 /nfs/dbraw/zinc/06/03/22/402060322.db2.gz CISKZWPZHYBWNV-MRXNPFEDSA-N 1 0 318.417 2.263 40 0 DEABRO O=C(NC1CCC1)[C@H]1C[C@@H]2CC[N@H+](Cc3ccsc3)C[C@H]2O1 ZINC000096042756 402049436 /nfs/dbraw/zinc/04/94/36/402049436.db2.gz NEFVUXUCLAAUHF-NUEKZKHPSA-N 1 0 320.458 2.396 40 0 DEABRO Cc1nnc([C@@H]2CCO[C@@H]3CC[N@H+](Cc4ccncc4)C[C@@H]32)o1 ZINC000096043519 402049561 /nfs/dbraw/zinc/04/95/61/402049561.db2.gz SYMSKCBSFWYRQO-BZUAXINKSA-N 1 0 314.389 2.168 40 0 DEABRO COCCN1C(=O)CC[C@]12CCC[N@H+](Cc1cccnc1)CC2 ZINC000096047529 402050250 /nfs/dbraw/zinc/05/02/50/402050250.db2.gz KPRGCBJLSDCQAQ-SFHVURJKSA-N 1 0 317.433 2.075 40 0 DEABRO c1cc(C[N@@H+]2CCC[C@]3(C[C@@H](Nc4ncccn4)CO3)C2)co1 ZINC000096048334 402051314 /nfs/dbraw/zinc/05/13/14/402051314.db2.gz DBQXZXVFMHHACF-WBVHZDCISA-N 1 0 314.389 2.305 40 0 DEABRO Cc1ccc(C[N@@H+]2CC[C@@]3(CC(=O)N(c4cncnc4)C3)C2)o1 ZINC000096050830 402051931 /nfs/dbraw/zinc/05/19/31/402051931.db2.gz FEYTYFQLCODAQO-QGZVFWFLSA-N 1 0 312.373 2.007 40 0 DEABRO c1ccc(O[C@@H]2CC[C@H]3[C@H]2OCC[N@H+]3CC2CCOCC2)nc1 ZINC000096058052 402053707 /nfs/dbraw/zinc/05/37/07/402053707.db2.gz HYXDJXDRRHOURM-LZLYRXPVSA-N 1 0 318.417 2.119 40 0 DEABRO O=C1C[C@H](c2ccncc2)C2(CC[NH+](Cc3ccoc3)CC2)N1 ZINC000096061545 402055032 /nfs/dbraw/zinc/05/50/32/402055032.db2.gz BVESIXZNAZNAGW-MRXNPFEDSA-N 1 0 311.385 2.313 40 0 DEABRO O=C1NC2(C[C@@H]1c1cccnc1)CC[NH+](Cc1ccncc1)CC2 ZINC000096087438 402057506 /nfs/dbraw/zinc/05/75/06/402057506.db2.gz XJBOMYHVCWLFNF-QGZVFWFLSA-N 1 0 322.412 2.115 40 0 DEABRO Cc1cccc(C[N@@H+]2CC[C@H]3[C@@H]2CC(=O)N3Cc2ccncc2)n1 ZINC000096081326 402057780 /nfs/dbraw/zinc/05/77/80/402057780.db2.gz ILKTXEXVGGOCBI-ROUUACIJSA-N 1 0 322.412 2.160 40 0 DEABRO CN(C)C(=O)NC[C@H]1CCC[C@]2(CC[N@H+](Cc3ccoc3)C2)O1 ZINC000096206598 402069375 /nfs/dbraw/zinc/06/93/75/402069375.db2.gz DVPBMDOFOUBVSI-NVXWUHKLSA-N 1 0 321.421 2.064 40 0 DEABRO O=C(NC[C@]12COC[C@H]1C[N@@H+](C1CCCC1)C2)c1ccsc1 ZINC000096208351 402069543 /nfs/dbraw/zinc/06/95/43/402069543.db2.gz NWHMNZJKLJWUIM-PBHICJAKSA-N 1 0 320.458 2.369 40 0 DEABRO CC[N@@H+]1CC[C@@]2(CC(C(=O)NC[C@@H](C)c3ccccc3)=NO2)C1 ZINC000096225771 402072749 /nfs/dbraw/zinc/07/27/49/402072749.db2.gz AVDKTJOAGHWAIF-RDTXWAMCSA-N 1 0 315.417 2.147 40 0 DEABRO CC(C)[N@@H+]1CC[C@@]2(c3ccccc3)CCN(S(C)(=O)=O)[C@@H]2C1 ZINC000096251889 402074473 /nfs/dbraw/zinc/07/44/73/402074473.db2.gz FVRRYZJZLFNMDK-SJORKVTESA-N 1 0 322.474 2.072 40 0 DEABRO CC(C)[N@@H+]1CC[C@]2(c3ccccc3)CCN(S(C)(=O)=O)[C@@H]2C1 ZINC000096251887 402074830 /nfs/dbraw/zinc/07/48/30/402074830.db2.gz FVRRYZJZLFNMDK-IAGOWNOFSA-N 1 0 322.474 2.072 40 0 DEABRO Cc1ccccc1C[N@H+]1C[C@H]2C[C@H](C(=O)NCC(C)C)[C@@H](C1)O2 ZINC000096252952 402074894 /nfs/dbraw/zinc/07/48/94/402074894.db2.gz BCSPKOYCVWTJDE-FGTMMUONSA-N 1 0 316.445 2.357 40 0 DEABRO CC[C@H]([C@H]([NH3+])c1ccc(Br)cc1)S(C)(=O)=O ZINC000096524860 402098444 /nfs/dbraw/zinc/09/84/44/402098444.db2.gz CMAONDQEWJWNJQ-GHMZBOCLSA-N 1 0 306.225 2.272 40 0 DEABRO CN(C)C(=O)c1nc2c(s1)CC[N@H+](Cc1ccoc1)CC2 ZINC000096187571 402065689 /nfs/dbraw/zinc/06/56/89/402065689.db2.gz LETIEOUWWYJZJB-UHFFFAOYSA-N 1 0 305.403 2.039 40 0 DEABRO CC(C)NC(=O)[C@H]1CC[C@@H]2[C@@H](CC[N@@H+]2Cc2ccsc2)O1 ZINC000096187222 402066164 /nfs/dbraw/zinc/06/61/64/402066164.db2.gz YJEXJJGINWZITH-RBSFLKMASA-N 1 0 308.447 2.395 40 0 DEABRO CCS(=O)(=O)N1CC[C@]2(CC[N@H+](Cc3ccccc3C)C2)C1 ZINC000096203104 402068796 /nfs/dbraw/zinc/06/87/96/402068796.db2.gz VSLGAWHSCNYZMO-KRWDZBQOSA-N 1 0 322.474 2.243 40 0 DEABRO Cc1ccc(C[NH+]2CCC3(CC2)OCC(=O)N(C)[C@@H]3C)s1 ZINC000096201505 402068815 /nfs/dbraw/zinc/06/88/15/402068815.db2.gz MJERWACMQSQKSF-CYBMUJFWSA-N 1 0 308.447 2.268 40 0 DEABRO O=C(CC1CC1)N[C@@H]1C[N@H+](Cc2ccoc2)C[C@@H]2CCCO[C@H]12 ZINC000097953468 402133420 /nfs/dbraw/zinc/13/34/20/402133420.db2.gz RYSHRKFZTCEWAX-JZXOWHBKSA-N 1 0 318.417 2.175 40 0 DEABRO CN(C)Cc1cc(C[C@@H]2C[C@H]([NH2+]C3CCOCC3)C2(C)C)no1 ZINC000067889803 402177245 /nfs/dbraw/zinc/17/72/45/402177245.db2.gz QNQDKAIXKHGHCE-DYVFJYSZSA-N 1 0 321.465 2.462 40 0 biogenic,in-vitro DEABRO Cn1c(Cl)nc2cc(C(=O)NCC[NH+]3CCCCC3)ccc21 ZINC000225988061 402325524 /nfs/dbraw/zinc/32/55/24/402325524.db2.gz IRDSGTFVIBPOKB-UHFFFAOYSA-N 1 0 320.824 2.442 40 0 DEABRO C[NH+]1CCC(NC(=O)COc2cccc3c2CCCC3)CC1 ZINC000225461969 402318429 /nfs/dbraw/zinc/31/84/29/402318429.db2.gz QYCPVEOJLCRBGF-UHFFFAOYSA-N 1 0 302.418 2.155 40 0 DEABRO C[NH+]1CCN(c2ccc(N)cc2NC(=O)Cc2ccccc2)CC1 ZINC000226258455 402326775 /nfs/dbraw/zinc/32/67/75/402326775.db2.gz PJTPKUWAMQLKET-UHFFFAOYSA-N 1 0 324.428 2.202 40 0 DEABRO C[NH+](C)CC[C@H]1CN(C(=O)Cc2cccs2)Cc2ccnn21 ZINC000248079494 402582207 /nfs/dbraw/zinc/58/22/07/402582207.db2.gz CIGHYLCYLXMLFV-AWEZNQCLSA-N 1 0 318.446 2.022 40 0 DEABRO Cc1ccc(CC(=O)NCc2c[nH]c([C@H]3CC[N@@H+](C)C3)n2)s1 ZINC000257237762 402706732 /nfs/dbraw/zinc/70/67/32/402706732.db2.gz HIBDPCIJNHIGPR-LBPRGKRZSA-N 1 0 318.446 2.058 40 0 DEABRO Cn1cc(C[N@@H+]2CC[C@@]3(CCCO3)[C@@H](O)C2)c2ccccc21 ZINC000257233757 402707105 /nfs/dbraw/zinc/70/71/05/402707105.db2.gz GQPCRRVCFQSYNG-ROUUACIJSA-N 1 0 300.402 2.294 40 0 DEABRO Cc1noc(C)c1-c1ccnc(C2CCN(C(=O)C[NH3+])CC2)c1 ZINC000257251932 402708670 /nfs/dbraw/zinc/70/86/70/402708670.db2.gz JSWMNSAXKJWTTP-UHFFFAOYSA-N 1 0 314.389 2.018 40 0 DEABRO O=C(c1ccccc1Cl)N1CCC([NH2+]C2(CO)CCC2)CC1 ZINC000182428134 402689501 /nfs/dbraw/zinc/68/95/01/402689501.db2.gz QAVBTIXYTAMOMJ-UHFFFAOYSA-N 1 0 322.836 2.449 40 0 DEABRO CC(C)n1nc(C2CC2)cc1C[NH2+]CCCN1CCOCC1 ZINC000256052674 402700137 /nfs/dbraw/zinc/70/01/37/402700137.db2.gz 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CCC(CC)[N@@H+]1CCOC[C@@](O)(COc2ccc(F)cc2)C1 ZINC000585276981 357342213 /nfs/dbraw/zinc/34/22/13/357342213.db2.gz SYZYUQMGKDYRTP-QGZVFWFLSA-N 1 0 311.397 2.456 40 0 DEABRO CN1CCC[N@@H+]([C@H]2CCC[C@@H](Oc3cccc(F)c3)[C@@H]2O)CC1 ZINC000585290145 357344428 /nfs/dbraw/zinc/34/44/28/357344428.db2.gz UAMRSWDAFDINKX-RCCFBDPRSA-N 1 0 322.424 2.124 40 0 DEABRO CC[NH+](CC)CCOC(=O)[C@@](O)(c1ccco1)c1ccccc1 ZINC000006382293 181335667 /nfs/dbraw/zinc/33/56/67/181335667.db2.gz RRBIZLNORNLNKP-SFHVURJKSA-N 1 0 317.385 2.401 40 0 DEABRO c1cc(CN2CC[NH+](C3CCCC3)CC2)nc([C@@H]2CCCO2)n1 ZINC000257316219 203040605 /nfs/dbraw/zinc/04/06/05/203040605.db2.gz VEQNXFAZPUSFEE-KRWDZBQOSA-N 1 0 316.449 2.388 40 0 DEABRO Cc1cn(C)c([C@H]2CC[N@H+](Cc3ccc4c(c3)OCCO4)C2)n1 ZINC000257322426 203047942 /nfs/dbraw/zinc/04/79/42/203047942.db2.gz WFXXKPGNVJNOLU-HNNXBMFYSA-N 1 0 313.401 2.489 40 0 DEABRO Cc1nc[nH]c1C[N@@H+](C)[C@@H]1CC[C@H](Oc2ccccc2)[C@H]1O ZINC000257338304 203059226 /nfs/dbraw/zinc/05/92/26/203059226.db2.gz 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ZINC000253504536 533172540 /nfs/dbraw/zinc/17/25/40/533172540.db2.gz GZZOFTMOJHVMPV-QIIPPGSGSA-N 1 0 301.386 2.229 40 0 biogenic,in-vitro DEABRO CC(C)[C@@H](NC(=O)OC(C)(C)C)[C@](O)(C[NH3+])c1ccccc1 ZINC000072207950 257128013 /nfs/dbraw/zinc/12/80/13/257128013.db2.gz ZFTLPBPZBWLJAC-PBHICJAKSA-N 1 0 308.422 2.382 40 0 DEABRO C[NH+](C)CCNC(=S)Nc1ccc(Br)cc1F ZINC000007571244 401741780 /nfs/dbraw/zinc/74/17/80/401741780.db2.gz VJYXCTKFZZOLNS-UHFFFAOYSA-N 1 0 320.231 2.436 40 0 DEABRO [NH3+][C@H]1CC=C(COC(=O)[C@@](O)(c2ccccc2)C2CC2)CC1 ZINC000001641831 401708868 /nfs/dbraw/zinc/70/88/68/401708868.db2.gz NVDXAHVZTJDPLS-FUHWJXTLSA-N 1 0 301.386 2.265 40 0 DEABRO [NH3+][C@H]1CC=C(COC(=O)[C@](O)(c2ccccc2)C2CC2)CC1 ZINC000001641832 401709109 /nfs/dbraw/zinc/70/91/09/401709109.db2.gz NVDXAHVZTJDPLS-WMZOPIPTSA-N 1 0 301.386 2.265 40 0 DEABRO COC(=O)c1ccc(NC(=S)NC[C@H]2CCC[N@H+](C)C2)cc1 ZINC000009876365 401766385 /nfs/dbraw/zinc/76/63/85/401766385.db2.gz HWKDHDWBUVOWEY-GFCCVEGCSA-N 1 0 321.446 2.101 40 0 DEABRO C[C@]1(C(=O)NC2CC[NH+](Cc3cccc(F)c3)CC2)CCCO1 ZINC000012201735 401781973 /nfs/dbraw/zinc/78/19/73/401781973.db2.gz XMOGRJWTMKFGEX-GOSISDBHSA-N 1 0 320.408 2.475 40 0 DEABRO CC(C)[N@@H+](Cc1ccccc1)CC1CCN(C(=O)C[NH3+])CC1 ZINC000079415315 401873351 /nfs/dbraw/zinc/87/33/51/401873351.db2.gz LBELWACVZNKLSZ-UHFFFAOYSA-N 1 0 303.450 2.094 40 0 DEABRO CC[NH+]1CCN(C[C@H](O)CO[C@H]2C[C@@H](C)CC(C)(C)C2)CC1 ZINC000033526444 401891189 /nfs/dbraw/zinc/89/11/89/401891189.db2.gz YFJXJPMQFHEZTK-IKGGRYGDSA-N 1 0 312.498 2.216 40 0 DEABRO COc1cccc(C(=O)NCC[N@H+]2C[C@H](C)C[C@H](C)C2)c1OC ZINC000046882612 401974963 /nfs/dbraw/zinc/97/49/63/401974963.db2.gz IVLABNYEXCOFJT-OKILXGFUSA-N 1 0 320.433 2.412 40 0 DEABRO c1cc(C[N@H+]2C[C@@H]3COC[C@]3(COCC3CCOCC3)C2)co1 ZINC000096108763 402059724 /nfs/dbraw/zinc/05/97/24/402059724.db2.gz HCRYIIHPTJJLHT-QZTJIDSGSA-N 1 0 321.417 2.171 40 0 DEABRO O=C(NCc1cccs1)[C@@]12CCO[C@@H]1CC[N@@H+](C1CCC1)C2 ZINC000096038801 402048344 /nfs/dbraw/zinc/04/83/44/402048344.db2.gz OLVWLNWTRWSKTD-NVXWUHKLSA-N 1 0 320.458 2.398 40 0 DEABRO CC(C)OC[C@@]12CCCO[C@H]1CC[N@H+](Cc1cnn(C)c1)C2 ZINC000096040500 402049140 /nfs/dbraw/zinc/04/91/40/402049140.db2.gz NCVIWKLYIGJRTJ-IRXDYDNUSA-N 1 0 307.438 2.216 40 0 DEABRO COCC(=O)N1CCC2(CC[C@H]2[N@H+](C)Cc2ccco2)CC1 ZINC000096051600 402051797 /nfs/dbraw/zinc/05/17/97/402051797.db2.gz YYAGONOAKUADSA-OAHLLOKOSA-N 1 0 306.406 2.129 40 0 DEABRO Cc1noc(C)c1C[N@@H+]1C[C@H]2CN(c3ccccc3)C(=O)[C@@H]2C1 ZINC000096053585 402052012 /nfs/dbraw/zinc/05/20/12/402052012.db2.gz RRAJQHQFHATRPL-WMLDXEAASA-N 1 0 311.385 2.386 40 0 DEABRO Cc1noc([C@@H]2CC[C@@H]3[C@@H](CC[N@@H+]3CC3CCOCC3)O2)n1 ZINC000096057361 402053557 /nfs/dbraw/zinc/05/35/57/402053557.db2.gz OVSNYMGVWIFUDT-KFWWJZLASA-N 1 0 307.394 2.099 40 0 DEABRO O=C([C@H]1CCC2(CC[NH+](Cc3ccoc3)CC2)O1)N1CCCC1 ZINC000096061224 402054608 /nfs/dbraw/zinc/05/46/08/402054608.db2.gz AFJJKOXCZRVOSS-MRXNPFEDSA-N 1 0 318.417 2.416 40 0 DEABRO O=C1NC2(C[C@H]1c1ccncc1)CC[NH+](Cc1cccnc1)CC2 ZINC000096061407 402054730 /nfs/dbraw/zinc/05/47/30/402054730.db2.gz DHSYCSPPDVLRML-KRWDZBQOSA-N 1 0 322.412 2.115 40 0 DEABRO O=C1C[C@@H](c2cccnc2)C2(CC[NH+](Cc3ccccn3)CC2)N1 ZINC000096061456 402054923 /nfs/dbraw/zinc/05/49/23/402054923.db2.gz IGDNCPNQPSFHGB-KRWDZBQOSA-N 1 0 322.412 2.115 40 0 DEABRO O=C([C@@H]1CCC2(CC[NH+](Cc3ccoc3)CC2)O1)N1CCCC1 ZINC000096061225 402055091 /nfs/dbraw/zinc/05/50/91/402055091.db2.gz AFJJKOXCZRVOSS-INIZCTEOSA-N 1 0 318.417 2.416 40 0 DEABRO Cc1n[nH]c(C[C@@H]2OC[C@H]3C[N@H+](Cc4ccsc4)CC[C@H]32)n1 ZINC000096207783 402069631 /nfs/dbraw/zinc/06/96/31/402069631.db2.gz KASSJAJFEYEKFY-KFWWJZLASA-N 1 0 318.446 2.254 40 0 DEABRO O=C(C[C@@H]1C[C@H]2C[N@H+](Cc3ccsc3)C[C@H]2O1)NCC1CC1 ZINC000096206735 402069801 /nfs/dbraw/zinc/06/98/01/402069801.db2.gz SWPVSFBZMDESDH-HRCADAONSA-N 1 0 320.458 2.254 40 0 DEABRO Cc1ccc(C[N@@H+]2C[C@@H]3C[C@@H](CC(=O)N4CCC4)O[C@@H]3C2)s1 ZINC000096217056 402071578 /nfs/dbraw/zinc/07/15/78/402071578.db2.gz JMHVSDLKNWLKSU-OFQRWUPVSA-N 1 0 320.458 2.268 40 0 DEABRO CC[N@@H+]1CCOC[C@@]2(CCCN(C(=O)c3ccccc3F)C2)C1 ZINC000096228885 402072777 /nfs/dbraw/zinc/07/27/77/402072777.db2.gz WTKMIOVSUGDRDF-SFHVURJKSA-N 1 0 320.408 2.400 40 0 DEABRO CN(C)c1ncnc2c1CC[N@H+](Cc1ccc(F)cc1)CC2 ZINC000096255387 402075498 /nfs/dbraw/zinc/07/54/98/402075498.db2.gz SMOFORRZDUBMQI-UHFFFAOYSA-N 1 0 300.381 2.283 40 0 DEABRO CC1=N[C@@]2(CC[C@@H]3C[N@H+](Cc4ccccc4F)C[C@@H]32)C(=O)N1C ZINC000096261412 402076170 /nfs/dbraw/zinc/07/61/70/402076170.db2.gz HZWBJICZUHIVIB-QIIPPGSGSA-N 1 0 315.392 2.297 40 0 DEABRO Cn1cccc1C[N@H+]1C[C@H]2CN(C(=O)c3cccs3)C[C@H]2C1 ZINC000096161817 402064192 /nfs/dbraw/zinc/06/41/92/402064192.db2.gz GVABYUAYLAUWDV-OKILXGFUSA-N 1 0 315.442 2.291 40 0 DEABRO Cc1ccc(C[N@H+]2CC[C@H]3[C@@H]2CCC(=O)N3c2cnn(C)c2)o1 ZINC000096186482 402066157 /nfs/dbraw/zinc/06/61/57/402066157.db2.gz FBZUROFXSAZMPS-HOTGVXAUSA-N 1 0 314.389 2.091 40 0 DEABRO CN(Cc1ccco1)Cc1cnc2n1CC[N@@H+](CC1CC1)CC2 ZINC000096197092 402067364 /nfs/dbraw/zinc/06/73/64/402067364.db2.gz UKLUHQRPBXSNRO-UHFFFAOYSA-N 1 0 314.433 2.376 40 0 DEABRO COCCN1CC[C@]2(C[N@H+](Cc3ccccc3)C[C@H]2C)C1=O ZINC000096201654 402068693 /nfs/dbraw/zinc/06/86/93/402068693.db2.gz GUSDRAAMRQWOGB-CRAIPNDOSA-N 1 0 302.418 2.003 40 0 DEABRO CCS(=O)(=O)N1CC[C@@]2(CC[N@H+](Cc3ccccc3C)C2)C1 ZINC000096203105 402068855 /nfs/dbraw/zinc/06/88/55/402068855.db2.gz VSLGAWHSCNYZMO-QGZVFWFLSA-N 1 0 322.474 2.243 40 0 DEABRO Cc1nnc([C@@H]2CC[C@@H]3[C@@H](CC[N@@H+]3CC3CCOCC3)O2)o1 ZINC000097953587 402133958 /nfs/dbraw/zinc/13/39/58/402133958.db2.gz SXBHEPMLEYJKJZ-KFWWJZLASA-N 1 0 307.394 2.099 40 0 DEABRO CCOC(=O)c1cc(-n2cccc2)ccc1N1CC[NH+](C)CC1 ZINC000226277801 402326569 /nfs/dbraw/zinc/32/65/69/402326569.db2.gz XTAFMDBUYAAQHE-UHFFFAOYSA-N 1 0 313.401 2.406 40 0 DEABRO C[C@H](Oc1cccc2c1CCCC2)C(=O)N1CCN(C)CC1 ZINC000224853030 402314912 /nfs/dbraw/zinc/31/49/12/402314912.db2.gz RLKZVZUNGDUGBD-AWEZNQCLSA-N 1 0 302.418 2.107 40 0 DEABRO CCOC(=O)c1ccc(C)c(NC(=S)NCC[NH+](C)C)c1 ZINC000225404079 402316676 /nfs/dbraw/zinc/31/66/76/402316676.db2.gz HVAQGZFHIKASQU-UHFFFAOYSA-N 1 0 309.435 2.020 40 0 DEABRO COc1ccccc1CN1CC2(C1)CC[C@@H](C[NH+](C)C)CO2 ZINC000248123786 402582724 /nfs/dbraw/zinc/58/27/24/402582724.db2.gz NWUHEFCDSMVOJT-HNNXBMFYSA-N 1 0 304.434 2.238 40 0 DEABRO CC[NH2+][C@H]1CCOC2(CCN(C(=O)c3ccccc3)CC2)C1 ZINC000257212139 402704000 /nfs/dbraw/zinc/70/40/00/402704000.db2.gz CCCHATQZYPRSMP-INIZCTEOSA-N 1 0 302.418 2.450 40 0 DEABRO Cc1ccc(C[N@H+]2CC[C@@H](c3n[nH]cc3C(=O)N(C)C)C2)s1 ZINC000257219234 402704582 /nfs/dbraw/zinc/70/45/82/402704582.db2.gz DGCOAELQTSPXQH-GFCCVEGCSA-N 1 0 318.446 2.471 40 0 DEABRO COc1ccc(C[NH+]2CCC3(CC2)OCCC[C@H]3O)c(F)c1 ZINC000257225747 402705821 /nfs/dbraw/zinc/70/58/21/402705821.db2.gz FHOUVTQNGXGAOE-MRXNPFEDSA-N 1 0 309.381 2.340 40 0 DEABRO CC(C)[NH+]1CCC(Cc2nccnc2N2C[C@H](C)OC2=O)CC1 ZINC000257254498 402708783 /nfs/dbraw/zinc/70/87/83/402708783.db2.gz KDHQMMAHIJBYGG-ZDUSSCGKSA-N 1 0 318.421 2.485 40 0 DEABRO CN(c1cccnn1)[C@@H]1CC[C@@H]2C[N@H+](CC3CCOCC3)C[C@H]12 ZINC000257285091 402711255 /nfs/dbraw/zinc/71/12/55/402711255.db2.gz PFPXGNDBTIHTAL-IXDOHACOSA-N 1 0 316.449 2.050 40 0 DEABRO COc1ccc(C(=O)N2CCCC[C@H]2[C@H]2CC[NH2+]C2)c(O)c1 ZINC000333853808 403886227 /nfs/dbraw/zinc/88/62/27/403886227.db2.gz QNANDSWZDMVTSN-WFASDCNBSA-N 1 0 304.390 2.005 40 0 DEABRO Cc1cccc(C[N@@H+]2CC[C@@H]3OCCN(CC4CC4)[C@H]3C2)n1 ZINC000108529415 281216842 /nfs/dbraw/zinc/21/68/42/281216842.db2.gz SQPWBULILAOQIQ-ROUUACIJSA-N 1 0 301.434 2.075 40 0 DEABRO COc1ccccc1C[N@@H+]1CCOC[C@H](CC(=O)N(C)C)[C@H]1C ZINC000306141374 534080250 /nfs/dbraw/zinc/08/02/50/534080250.db2.gz VTIIJACDXXHLBN-ZBFHGGJFSA-N 1 0 320.433 2.010 40 0 DEABRO Cc1ncsc1CN1Cc2ccnn2[C@H](CC[NH+](C)C)C1 ZINC000306125760 231084759 /nfs/dbraw/zinc/08/47/59/231084759.db2.gz DBLYURRGMXTQBI-CQSZACIVSA-N 1 0 305.451 2.157 40 0 DEABRO C[N@H+](CCO)C1CCC(NC(=O)OCc2ccccc2)CC1 ZINC000079391658 185168488 /nfs/dbraw/zinc/16/84/88/185168488.db2.gz QNKSAUBJVRVBBX-UHFFFAOYSA-N 1 0 306.406 2.148 40 0 DEABRO O=C(C1CCC1)N1CC[NH2+]C[C@@H](COCc2ccccc2)C1 ZINC000072354480 191128879 /nfs/dbraw/zinc/12/88/79/191128879.db2.gz BFJLFLADFHTRKV-MRXNPFEDSA-N 1 0 302.418 2.051 40 0 DEABRO NC(=O)CCc1cccc(C2CC[NH+](Cc3ccccn3)CC2)n1 ZINC000072360469 191131301 /nfs/dbraw/zinc/13/13/01/191131301.db2.gz GFCIMUOROQWMKH-UHFFFAOYSA-N 1 0 324.428 2.274 40 0 DEABRO Cc1nc(CCC(=O)N(C)C)cc(C2CC[NH+](C(C)C)CC2)n1 ZINC000072366980 191137256 /nfs/dbraw/zinc/13/72/56/191137256.db2.gz KZKXPTVZYWEKCA-UHFFFAOYSA-N 1 0 318.465 2.394 40 0 DEABRO CC(C)CNC(=O)c1ccccc1NC(=O)[C@@H]1CCC[N@H+](C)C1 ZINC000072849868 191238584 /nfs/dbraw/zinc/23/85/84/191238584.db2.gz XQPCIEQZZPTQHS-CQSZACIVSA-N 1 0 317.433 2.353 40 0 DEABRO C[NH+]1CCC(C(=O)Nc2ccccc2C(=O)NC(C)(C)C)CC1 ZINC000073034455 191272128 /nfs/dbraw/zinc/27/21/28/191272128.db2.gz DLEUVHFZZZHUSV-UHFFFAOYSA-N 1 0 317.433 2.495 40 0 DEABRO CC(=O)N1C[C@H](COCC2CC2)C2(C1)CC[NH+](C(C)C)CC2 ZINC000585102730 357333716 /nfs/dbraw/zinc/33/37/16/357333716.db2.gz CASOZRDOKOLGEO-QGZVFWFLSA-N 1 0 308.466 2.382 40 0 DEABRO CCOCC[C@H]1CCOC12CC[NH+](Cc1cnn(C)c1)CC2 ZINC000585103247 357333941 /nfs/dbraw/zinc/33/39/41/357333941.db2.gz AMCQFICUVRZKGI-INIZCTEOSA-N 1 0 307.438 2.218 40 0 DEABRO Clc1ccc2ncc(-c3cccc([C@@H]4C[NH2+]CCO4)n3)n2n1 ZINC000585262857 357340120 /nfs/dbraw/zinc/34/01/20/357340120.db2.gz MFFIOXYKTHVTKY-ZDUSSCGKSA-N 1 0 315.764 2.106 40 0 DEABRO Cc1nc[nH]c1C[N@@H+]1CC[C@](O)(COc2ccccc2C)C1 ZINC000585274355 357341009 /nfs/dbraw/zinc/34/10/09/357341009.db2.gz JMKJUYCYSPBANX-QGZVFWFLSA-N 1 0 301.390 2.042 40 0 DEABRO Cc1cnn(C)c1C[N@@H+]1CC[C@@](O)(COc2ccccc2C)C1 ZINC000585277755 357343288 /nfs/dbraw/zinc/34/32/88/357343288.db2.gz OWMBHRLOLYVFRO-SFHVURJKSA-N 1 0 315.417 2.053 40 0 DEABRO Cc1nc[nH]c1C[NH+]1CCC(c2cc(C)n3nccc3n2)CC1 ZINC000257201465 202938051 /nfs/dbraw/zinc/93/80/51/202938051.db2.gz AHUYILZBNPWSMM-UHFFFAOYSA-N 1 0 310.405 2.449 40 0 DEABRO Cc1ccc(N(C)[C@@H]2COC3(C2)CC[NH+](CCO)CC3)cc1 ZINC000257276520 203003420 /nfs/dbraw/zinc/00/34/20/203003420.db2.gz NUCGMPLUTGPLFM-KRWDZBQOSA-N 1 0 304.434 2.047 40 0 DEABRO Clc1cccc(OCCc2cc([C@H]3C[NH2+]CCO3)[nH]n2)c1 ZINC000257324056 203047996 /nfs/dbraw/zinc/04/79/96/203047996.db2.gz WMYIVDONHAOWGC-OAHLLOKOSA-N 1 0 307.781 2.346 40 0 DEABRO Cn1cc(C[N@@H+]2CC[C@@]3(CCCO3)[C@@H](O)C2)c2cc(F)ccc21 ZINC000257325779 203049039 /nfs/dbraw/zinc/04/90/39/203049039.db2.gz WUKHJDYZCORVAM-ROUUACIJSA-N 1 0 318.392 2.433 40 0 DEABRO Cc1ncccc1O[C@@H]1CC[C@@H]2C[N@H+](Cc3cncnc3)C[C@H]12 ZINC000257325900 203049110 /nfs/dbraw/zinc/04/91/10/203049110.db2.gz WUXZNNGFSRVTTQ-SOLBZPMBSA-N 1 0 310.401 2.469 40 0 DEABRO O=C(c1cnc(C2CC2)nc1)N1CC[NH2+]C[C@@H]1c1ccccc1 ZINC000257339840 203061489 /nfs/dbraw/zinc/06/14/89/203061489.db2.gz ZDLFXPSYMBCHIV-MRXNPFEDSA-N 1 0 308.385 2.141 40 0 DEABRO c1cncc(CO[C@H]2CC[C@H]3[C@@H]2OCC[N@@H+]3C2CCOCC2)c1 ZINC000096041375 193495480 /nfs/dbraw/zinc/49/54/80/193495480.db2.gz DYCUDVPTZGCWAP-BZSNNMDCSA-N 1 0 318.417 2.009 40 0 DEABRO Cc1nnn2c1COC[C@H](C[NH2+]Cc1ccc(C)c(C)c1)C2 ZINC000096199375 193575603 /nfs/dbraw/zinc/57/56/03/193575603.db2.gz DEXLXBWFNWCSSM-MRXNPFEDSA-N 1 0 300.406 2.140 40 0 DEABRO C[C@H]1C[N@@H+]2C[C@H](O)C[C@@H]2CN1Cc1ccccc1C(F)(F)F ZINC000019575951 182130928 /nfs/dbraw/zinc/13/09/28/182130928.db2.gz NEGDXXNUJDBBQV-IACUBPJLSA-N 1 0 314.351 2.345 40 0 DEABRO CC(C)CC(=O)N1CCc2nc([C@H]3CCCC[NH2+]3)ncc2C1 ZINC000019446548 182123579 /nfs/dbraw/zinc/12/35/79/182123579.db2.gz ZUUOGCIIPJAYLL-OAHLLOKOSA-N 1 0 302.422 2.222 40 0 DEABRO CCOC(C[NH2+][C@H]1CCCN(C(=O)OC(C)(C)C)C1)OCC ZINC000015042306 285989636 /nfs/dbraw/zinc/98/96/36/285989636.db2.gz SCDKOZPBKDRGCK-ZDUSSCGKSA-N 1 0 316.442 2.375 40 0 DEABRO CCOc1cc(C[NH2+][C@@H](C)CC)cc(Cl)c1OCC(N)=O ZINC000008326652 401751979 /nfs/dbraw/zinc/75/19/79/401751979.db2.gz ZRUMBQDJURGPOC-JTQLQIEISA-N 1 0 314.813 2.491 40 0 DEABRO COc1cc2nc(Cl)nc(NCC[NH+](C)C)c2cc1OC ZINC000011756112 401776303 /nfs/dbraw/zinc/77/63/03/401776303.db2.gz MQZXJHPKPOGTIJ-UHFFFAOYSA-N 1 0 310.785 2.274 40 0 DEABRO C[C@H]([NH3+])C(=O)N[C@H]1CCCC[C@@H]1[N@H+](Cc1ccccc1)C1CC1 ZINC000079415689 401873205 /nfs/dbraw/zinc/87/32/05/401873205.db2.gz UMGDQPUHAYHDGC-WBAXXEDZSA-N 1 0 315.461 2.426 40 0 DEABRO O=C1NC[C@]2(CCC[N@H+](Cc3cccnc3)C2)Oc2ccccc21 ZINC000019374807 401822395 /nfs/dbraw/zinc/82/23/95/401822395.db2.gz QXLMFVUVGUXOPU-IBGZPJMESA-N 1 0 323.396 2.239 40 0 DEABRO O=C1[C@@H]2CC[N@@H+](C3CCC3)C[C@@H]2OCCN1c1ccccc1 ZINC000096107130 402059069 /nfs/dbraw/zinc/05/90/69/402059069.db2.gz BZBBEGOKARAPKW-SJORKVTESA-N 1 0 300.402 2.293 40 0 DEABRO O=C([C@@H]1C[N@H+](Cc2cccs2)C[C@H]2OCC[C@H]21)N1CCCC1 ZINC000096038861 402047946 /nfs/dbraw/zinc/04/79/46/402047946.db2.gz SCABSYODHHFRMH-ARFHVFGLSA-N 1 0 320.458 2.207 40 0 DEABRO Cc1ccc(C[N@H+]2CC[C@H]3C[C@H](C(=O)N(C)C)O[C@H]3C2)cc1 ZINC000096043160 402049940 /nfs/dbraw/zinc/04/99/40/402049940.db2.gz OPYWWESFLLSLCI-BBWFWOEESA-N 1 0 302.418 2.063 40 0 DEABRO COCCN1CCC2(CC[NH+](Cc3ccsc3)CC2)C1=O ZINC000096046792 402050312 /nfs/dbraw/zinc/05/03/12/402050312.db2.gz ONRDRTGIKSXNLW-UHFFFAOYSA-N 1 0 308.447 2.209 40 0 DEABRO c1cc(C[N@@H+]2C[C@@H](Oc3cccnc3)[C@H]3OCCC[C@H]32)co1 ZINC000096065918 402055745 /nfs/dbraw/zinc/05/57/45/402055745.db2.gz ASROFTVAYQWGAI-ZACQAIPSSA-N 1 0 300.358 2.485 40 0 DEABRO Cc1cccc(C(=O)N2CC[C@@]3(CC[N@@H+]3C[C@@H]3CCCO3)C2)c1 ZINC000096076022 402056896 /nfs/dbraw/zinc/05/68/96/402056896.db2.gz GLVIVQROPZRUQB-PKOBYXMFSA-N 1 0 314.429 2.464 40 0 DEABRO CC(C)[N@@H+]1C[C@@H]2C[C@H](CC(=O)NCc3cccs3)O[C@@H]2C1 ZINC000096208424 402069613 /nfs/dbraw/zinc/06/96/13/402069613.db2.gz BOCOSXISEAOOSS-GZBFAFLISA-N 1 0 308.447 2.252 40 0 DEABRO c1csc(N[C@@H]2CO[C@]3(C2)CCC[N@@H+](C2CCOCC2)C3)n1 ZINC000096223369 402071598 /nfs/dbraw/zinc/07/15/98/402071598.db2.gz AIZWZCWIFNPLHE-BBRMVZONSA-N 1 0 323.462 2.358 40 0 DEABRO 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C[C@H]1CCCN(C(=O)c2cncc(C3CC[NH+](C)CC3)n2)C1 ZINC000257239794 402707700 /nfs/dbraw/zinc/70/77/00/402707700.db2.gz HQUSIVDIYXRBFJ-ZDUSSCGKSA-N 1 0 302.422 2.158 40 0 DEABRO C[N@H+](Cc1cnc[nH]1)[C@@H]1CCC[C@H](Oc2ccccc2)[C@H]1O ZINC000257266811 402710877 /nfs/dbraw/zinc/71/08/77/402710877.db2.gz MEPKRFIOYVSHRU-IKGGRYGDSA-N 1 0 301.390 2.203 40 0 DEABRO Cc1cccc(CN2CCO[C@@H](CCc3cc[nH+]c(N)c3)C2)n1 ZINC000257282114 402711546 /nfs/dbraw/zinc/71/15/46/402711546.db2.gz OSJOBLGEXOBCGA-KRWDZBQOSA-N 1 0 312.417 2.201 40 0 DEABRO c1ccn(C[C@@H]2CC[C@H]3[C@H]2OCC[N@@H+]3CC2CCOCC2)c1 ZINC000253479037 402667249 /nfs/dbraw/zinc/66/72/49/402667249.db2.gz OIKWPODUUSYQHE-BZSNNMDCSA-N 1 0 304.434 2.394 40 0 DEABRO CC(C)(C)OC(=O)N[C@@H]1CCN([C@H](C[NH3+])c2ccccc2)C1 ZINC000255976067 402699618 /nfs/dbraw/zinc/69/96/18/402699618.db2.gz HFBDLIGBWDZLIQ-HUUCEWRRSA-N 1 0 305.422 2.285 40 0 DEABRO CO[C@H]1C[N@H+](Cc2c(C)nc3sccn23)CC[C@@]12CCCO2 ZINC000257201059 424888933 /nfs/dbraw/zinc/88/89/33/424888933.db2.gz AGAKUODCOMDCOQ-HOCLYGCPSA-N 1 0 321.446 2.474 40 0 DEABRO CCc1nccn1C[C@H](C)C(=O)N[C@@H](C)C[NH+]1CCCCCC1 ZINC000019523582 276697591 /nfs/dbraw/zinc/69/75/91/276697591.db2.gz UFQKDAYYYGGMRY-HOTGVXAUSA-N 1 0 320.481 2.462 40 0 DEABRO C[C@H]1CCCC[C@H]1NC(=O)C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000170380160 278337540 /nfs/dbraw/zinc/33/75/40/278337540.db2.gz BOZXQSQZWPVDOX-GXTWGEPZSA-N 1 0 323.481 2.107 40 0 DEABRO CCc1nccn1CCC(=O)N1CC[NH2+]C[C@H]1c1ccccc1 ZINC000257224731 281536994 /nfs/dbraw/zinc/53/69/94/281536994.db2.gz FDBQGAHRIXPNPJ-INIZCTEOSA-N 1 0 312.417 2.009 40 0 DEABRO [NH3+]C[C@@H]1[C@H](c2ccc(F)cc2)[C@@H]1S(=O)(=O)c1ccccc1 ZINC000218627160 340497053 /nfs/dbraw/zinc/49/70/53/340497053.db2.gz BCMYXZPPJCITDG-OWCLPIDISA-N 1 0 305.374 2.340 40 0 DEABRO Cc1c2nc(-c3ccco3)nc(NCCC[NH+](C)C)c2nn1C ZINC000041070289 1078274685 /nfs/dbraw/zinc/27/46/85/1078274685.db2.gz DCODGABKYTWZLB-UHFFFAOYSA-N 1 0 314.393 2.295 40 0 DEABRO CC(C)N(CC[NH3+])C[C@H]1CCCN1C(=O)OCc1ccccc1 ZINC000079391820 185168557 /nfs/dbraw/zinc/16/85/57/185168557.db2.gz IPXOHQXRVMBXMK-QGZVFWFLSA-N 1 0 319.449 2.457 40 0 DEABRO O=C([O-])C[N@H+](CC1CC[NH+](Cc2ccccc2)CC1)C1CC1 ZINC000079393468 185168774 /nfs/dbraw/zinc/16/87/74/185168774.db2.gz BWABOEZDJUTTKJ-UHFFFAOYSA-N 1 0 302.418 2.448 40 0 DEABRO COCCN1CC2(CC1=O)CC[NH+](C[C@H]1CC=CCC1)CC2 ZINC000108526466 185518605 /nfs/dbraw/zinc/51/86/05/185518605.db2.gz LNJXXQUOROCFAH-INIZCTEOSA-N 1 0 306.450 2.304 40 0 DEABRO CC(C)Oc1ccc(CN2C[C@@H]3C[C@@H](O)C[N@@H+]3C[C@@H]2C)cc1 ZINC000072324774 191123492 /nfs/dbraw/zinc/12/34/92/191123492.db2.gz UTQHYDCGENFTLV-BHYGNILZSA-N 1 0 304.434 2.113 40 0 DEABRO c1cnc(NCC2CCOCC2)c(C[C@H]2CCC[NH2+]CC2)n1 ZINC000072365439 191134479 /nfs/dbraw/zinc/13/44/79/191134479.db2.gz YKPXZVWYABKUNO-AWEZNQCLSA-N 1 0 304.438 2.247 40 0 DEABRO C[C@H]1CCC[C@H](C)[NH+]1C[C@H](O)COc1ccc2c(c1)OCO2 ZINC000005073809 181201260 /nfs/dbraw/zinc/20/12/60/181201260.db2.gz JLSIZYMNGQWRJQ-IHRRRGAJSA-N 1 0 307.390 2.418 40 0 DEABRO Cn1cc(CN2CC[C@]3(c4ccccc4)CC[N@H+](C)[C@@H]3C2)cn1 ZINC000096058417 355698288 /nfs/dbraw/zinc/69/82/88/355698288.db2.gz KIKDBKSXYHFZDL-MOPGFXCFSA-N 1 0 310.445 2.268 40 0 DEABRO Cc1cccc(OC[C@]2(O)COCC[N@@H+](C3CCCC3)C2)c1 ZINC000585269524 357341146 /nfs/dbraw/zinc/34/11/46/357341146.db2.gz XYOMZICLPPKGFE-GOSISDBHSA-N 1 0 305.418 2.380 40 0 DEABRO CNC(=O)CC[C@H]1[C@@H](OC)CCC[N@@H+]1CCc1ccc(F)cc1 ZINC000585279432 357343333 /nfs/dbraw/zinc/34/33/33/357343333.db2.gz ZCQGMUAIDBVISM-IRXDYDNUSA-N 1 0 322.424 2.374 40 0 DEABRO CCc1cc(C[N@@H+]2CCC[C@H](OC)[C@@H]2CCC(=O)N(C)C)on1 ZINC000585278534 357343902 /nfs/dbraw/zinc/34/39/02/357343902.db2.gz UJLVYOPCRVQOHP-HOTGVXAUSA-N 1 0 323.437 2.085 40 0 DEABRO COc1ccc(C(=O)N2CC[C@H]3[NH2+]CCCC[C@@H]3C2)cc1F ZINC000257326770 203051658 /nfs/dbraw/zinc/05/16/58/203051658.db2.gz WYNJXKQIHNRJIZ-UKRRQHHQSA-N 1 0 306.381 2.439 40 0 DEABRO CC(=O)Nc1cccc([C@@H]2C[N@@H+](C)C[C@]23CCCCC(=O)N3)c1 ZINC000257313843 203039554 /nfs/dbraw/zinc/03/95/54/203039554.db2.gz UUIFEVZMSAFUBL-FUHWJXTLSA-N 1 0 315.417 2.103 40 0 DEABRO CC(C)n1nccc1C[N@@H+]1CCC[C@@H](Cc2nccnc2N)C1 ZINC000257322672 203046780 /nfs/dbraw/zinc/04/67/80/203046780.db2.gz WGYDHSPKBPRBFY-AWEZNQCLSA-N 1 0 314.437 2.291 40 0 DEABRO COC[C@@H]1CC2(C[N@@H+]1C(C)C)CCN(C(=O)c1cocn1)CC2 ZINC000096215571 193585106 /nfs/dbraw/zinc/58/51/06/193585106.db2.gz NCFKHWPFYODBCU-AWEZNQCLSA-N 1 0 321.421 2.026 40 0 DEABRO CC(=O)N1CCC[C@@H](c2[nH]c3cccnc3c2C[NH+](C)C)C1 ZINC000019016941 182104049 /nfs/dbraw/zinc/10/40/49/182104049.db2.gz ZAFAKAATFQCINM-CYBMUJFWSA-N 1 0 300.406 2.350 40 0 DEABRO COc1cccc(C[N@@H+]2CCC[C@H](c3nc(C)cc(=O)[nH]3)C2)c1 ZINC000019117973 182105355 /nfs/dbraw/zinc/10/53/55/182105355.db2.gz OODZUCYXAKOQQK-HNNXBMFYSA-N 1 0 313.401 2.467 40 0 DEABRO C[NH+]1CCN(Cc2c3ncccc3[nH]c2C2CCOCC2)CC1 ZINC000019590052 182132380 /nfs/dbraw/zinc/13/23/80/182132380.db2.gz DCDRNWGITNEKEE-UHFFFAOYSA-N 1 0 314.433 2.204 40 0 DEABRO CC(C)(CNC(=O)Cn1cnc2ccccc21)[NH+]1CCCCC1 ZINC000019657577 182134877 /nfs/dbraw/zinc/13/48/77/182134877.db2.gz ZQUOENDHEPPFNU-UHFFFAOYSA-N 1 0 314.433 2.417 40 0 DEABRO COCC[N@H+](C)C[C@@H]1CCC[C@@H]2CN(c3ccc(C)nn3)C[C@@H]21 ZINC000063527183 184284938 /nfs/dbraw/zinc/28/49/38/184284938.db2.gz XRMXGHSCJQIRPM-GVDBMIGSSA-N 1 0 318.465 2.216 40 0 DEABRO CC(=O)N1CCCC[C@@H]1c1ccc(N2CCOCC2)nc1C ZINC000072219660 257124526 /nfs/dbraw/zinc/12/45/26/257124526.db2.gz BWRSVIUUQDYKLB-MRXNPFEDSA-N 1 0 303.406 2.300 40 0 DEABRO COc1ccc(-c2ccc3nnc(C4CC[NH2+]CC4)n3n2)cc1 ZINC000217559587 257131809 /nfs/dbraw/zinc/13/18/09/257131809.db2.gz UPBFICFEDQOGMU-UHFFFAOYSA-N 1 0 309.373 2.267 40 0 DEABRO COc1ccc(CCNC(=O)[C@@H]2[NH2+]CCCC2(C)C)cc1OC ZINC000261902630 145239673 /nfs/dbraw/zinc/23/96/73/145239673.db2.gz PCQHWZQPJJCOFC-INIZCTEOSA-N 1 0 320.433 2.141 40 0 DEABRO COc1cccc(OC)c1OC[C@H](O)C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000012170281 401781085 /nfs/dbraw/zinc/78/10/85/401781085.db2.gz APTCTONTNWIXCI-QLFBSQMISA-N 1 0 323.433 2.421 40 0 DEABRO CC(C)[C@H]1CC[C@H](C)C[C@H]1OC[C@H](O)C[NH+]1CCN(C)CC1 ZINC000019363247 401822040 /nfs/dbraw/zinc/82/20/40/401822040.db2.gz RWRZHMOUEJRKMT-BSDSXHPESA-N 1 0 312.498 2.072 40 0 DEABRO CCOC(C[NH2+][C@@H]1CCCN(C(=O)OC(C)(C)C)C1)OCC ZINC000015042303 401815421 /nfs/dbraw/zinc/81/54/21/401815421.db2.gz SCDKOZPBKDRGCK-CYBMUJFWSA-N 1 0 316.442 2.375 40 0 DEABRO Cc1ccc([C@@H](C[NH2+]Cc2cccnc2)N2CCOCC2)o1 ZINC000135946371 401956018 /nfs/dbraw/zinc/95/60/18/401956018.db2.gz DHRPBKRAEVSLOL-MRXNPFEDSA-N 1 0 301.390 2.146 40 0 DEABRO c1cncc(-c2nnc([C@H]3CC[N@@H+](C4CCOCC4)C3)o2)c1 ZINC000049169700 402013158 /nfs/dbraw/zinc/01/31/58/402013158.db2.gz IFOHDEGRIPSOPL-ZDUSSCGKSA-N 1 0 300.362 2.100 40 0 biogenic,in-vitro DEABRO C[C@@H](NC(=O)N1CCC[C@@H]([NH+]2CCCC2)CC1)C1CCOCC1 ZINC000151168971 402021507 /nfs/dbraw/zinc/02/15/07/402021507.db2.gz IBIDEPZWONXIAB-NVXWUHKLSA-N 1 0 323.481 2.461 40 0 DEABRO Cc1cnc2n1CCN(C)C21CC[NH+](Cc2ccccn2)CC1 ZINC000096037002 402048259 /nfs/dbraw/zinc/04/82/59/402048259.db2.gz BTPPIJKINHSZGJ-UHFFFAOYSA-N 1 0 311.433 2.023 40 0 DEABRO Cn1cc(N2C(=O)CC[C@@H]3[C@H]2CC[N@@H+]3CCc2ccccc2)cn1 ZINC000096038669 402048431 /nfs/dbraw/zinc/04/84/31/402048431.db2.gz KDCCLDJHYFZTFP-QZTJIDSGSA-N 1 0 324.428 2.233 40 0 DEABRO COCCN1C(=O)CC[C@]12CCC[N@H+](Cc1ccncc1)CC2 ZINC000096047531 402050522 /nfs/dbraw/zinc/05/05/22/402050522.db2.gz AQJDMNMFVFHVCU-SFHVURJKSA-N 1 0 317.433 2.075 40 0 DEABRO c1coc(C[N@@H+]2CCC[C@@]3(C[C@H](Nc4ncccn4)CO3)C2)c1 ZINC000096048329 402050879 /nfs/dbraw/zinc/05/08/79/402050879.db2.gz MKMAWSJBDSWHBF-WMLDXEAASA-N 1 0 314.389 2.305 40 0 DEABRO Cc1ccc(N[C@@H]2CO[C@]3(C2)CCC[N@H+](CC2CC2)C3)nn1 ZINC000096048477 402051227 /nfs/dbraw/zinc/05/12/27/402051227.db2.gz OHVILCRBBWGLLA-RDJZCZTQSA-N 1 0 302.422 2.230 40 0 DEABRO O=C1N(Cc2cccnc2)CC[C@]12CC[N@H+](Cc1ccoc1)C2 ZINC000096050501 402051783 /nfs/dbraw/zinc/05/17/83/402051783.db2.gz XRYFSSFVMGLQNH-SFHVURJKSA-N 1 0 311.385 2.299 40 0 DEABRO Cc1cccc(CN2C(=O)C[C@@H]3[C@@H]2CC[N@@H+]3Cc2ccccn2)n1 ZINC000096055765 402052662 /nfs/dbraw/zinc/05/26/62/402052662.db2.gz NOWWFJYTRWGINQ-ZWKOTPCHSA-N 1 0 322.412 2.160 40 0 DEABRO COC[C@@H]1C[N@H+](CC2CC2)Cc2cnn(CC3CCOCC3)c21 ZINC000096068356 402056179 /nfs/dbraw/zinc/05/61/79/402056179.db2.gz DIQAQOSMRVIJAI-KRWDZBQOSA-N 1 0 319.449 2.265 40 0 DEABRO C(c1nnc(C2CC2)o1)[C@@H]1OC[C@H]2C[N@@H+](C3CCC3)CC[C@H]21 ZINC000096208476 402069430 /nfs/dbraw/zinc/06/94/30/402069430.db2.gz UVKJMDZZNYQBAG-YUELXQCFSA-N 1 0 303.406 2.379 40 0 DEABRO C[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(C(=O)C1CC1)CC2 ZINC000096209102 402069569 /nfs/dbraw/zinc/06/95/69/402069569.db2.gz OAYIBOPNABXLLI-INIZCTEOSA-N 1 0 306.450 2.136 40 0 DEABRO Cc1n[nH]c(C[C@@H]2OC[C@H]3C[N@H+](Cc4cccs4)CC[C@H]32)n1 ZINC000096206754 402069651 /nfs/dbraw/zinc/06/96/51/402069651.db2.gz OQRMGSSOJOGTFJ-YUELXQCFSA-N 1 0 318.446 2.254 40 0 DEABRO c1cc(C[NH+]2CCC3(C[C@@H](Nc4ncccn4)CO3)CC2)co1 ZINC000096221551 402071732 /nfs/dbraw/zinc/07/17/32/402071732.db2.gz ARTQYLXAAIWYFO-OAHLLOKOSA-N 1 0 314.389 2.305 40 0 DEABRO CC(C)[N@@H+]1CC[C@@]2(CC(C(=O)NCc3ccc(F)cc3)=NO2)C1 ZINC000096226089 402072491 /nfs/dbraw/zinc/07/24/91/402072491.db2.gz BUMNEDWVCOLVCM-QGZVFWFLSA-N 1 0 319.380 2.071 40 0 DEABRO COc1cc2c(cc1OC)[C@]13CC[NH2+][C@H](C2)[C@@H]1CCC(=O)C3 ZINC000096316417 402077444 /nfs/dbraw/zinc/07/74/44/402077444.db2.gz GZZOFTMOJHVMPV-JOQOYGCGSA-N 1 0 301.386 2.229 40 0 biogenic,in-vitro DEABRO c1cnc(N2CCC3(CC2)CC[NH+](C2CCOCC2)CC3)nc1 ZINC000096158469 402063395 /nfs/dbraw/zinc/06/33/95/402063395.db2.gz GSLVHVINYVLVGX-UHFFFAOYSA-N 1 0 316.449 2.338 40 0 DEABRO O=C1NCC[C@]12C[N@H+](Cc1ccncc1)C[C@H]2c1ccccc1 ZINC000096201819 402068952 /nfs/dbraw/zinc/06/89/52/402068952.db2.gz SDCOGAMHOURQCS-PKOBYXMFSA-N 1 0 307.397 2.187 40 0 DEABRO COc1ccc(C[N@H+]2C[C@@H]3[C@H](CC(=O)N4CCCC4)[C@@H]3C2)cc1 ZINC000107745914 402239659 /nfs/dbraw/zinc/23/96/59/402239659.db2.gz DNBJLMXKUJYVLX-BCDXTJNWSA-N 1 0 314.429 2.386 40 0 DEABRO O=C1[C@@H]2C[N@H+](CC3CCOCC3)C[C@@H]2CN1c1ccccc1 ZINC000107742972 402239705 /nfs/dbraw/zinc/23/97/05/402239705.db2.gz FKWLDJUCPWYZAJ-NVXWUHKLSA-N 1 0 300.402 2.008 40 0 DEABRO Cn1cc(C[N@@H+]2C[C@@H](c3ccccc3)[C@]3(C2)CCCC(=O)N3)cn1 ZINC000257232443 402706471 /nfs/dbraw/zinc/70/64/71/402706471.db2.gz GKWLQBUSJWSRQD-PKOBYXMFSA-N 1 0 324.428 2.058 40 0 DEABRO Cc1nc2sccn2c1C[NH+]1CCC2(CC1)OCCC[C@@H]2O ZINC000257245692 402708004 /nfs/dbraw/zinc/70/80/04/402708004.db2.gz IQQSLUACERQZMQ-AWEZNQCLSA-N 1 0 321.446 2.210 40 0 DEABRO O[C@H]1CN(c2ncccn2)CC[C@@]12CCC[N@@H+]2Cc1ccccc1 ZINC000257256337 402709260 /nfs/dbraw/zinc/70/92/60/402709260.db2.gz KKZUGYABLBQFLX-HKUYNNGSSA-N 1 0 324.428 2.082 40 0 DEABRO CN1C(=O)CO[C@H]2CC[N@@H+](Cc3cc4ccccc4s3)C[C@@H]21 ZINC000257260116 402709920 /nfs/dbraw/zinc/70/99/20/402709920.db2.gz LBJFLMSYKHTPBP-GJZGRUSLSA-N 1 0 316.426 2.333 40 0 DEABRO CC(C)[NH+]1CCC(Cc2cc(N3C(=O)OC[C@H]3C)ncn2)CC1 ZINC000257263295 402710118 /nfs/dbraw/zinc/71/01/18/402710118.db2.gz LPDZEBCLKQUOHM-CYBMUJFWSA-N 1 0 318.421 2.485 40 0 DEABRO CCn1cc(C[N@@H+]2C[C@@H]3CC[C@@H](Nc4cnccn4)[C@@H]3C2)cn1 ZINC000257291814 402711241 /nfs/dbraw/zinc/71/12/41/402711241.db2.gz QISPOCWGXBSLBF-ARFHVFGLSA-N 1 0 312.421 2.016 40 0 DEABRO CN(C)c1nccc(C2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)n1 ZINC000257297294 402712130 /nfs/dbraw/zinc/71/21/30/402712130.db2.gz RGRGIZSWCXRVAB-HOTGVXAUSA-N 1 0 304.438 2.026 40 0 DEABRO C[N@@H+]1C[C@@H]2CN(C(=O)c3ccc(Cl)cc3)CCN2C(C)(C)C1 ZINC000253396103 402663471 /nfs/dbraw/zinc/66/34/71/402663471.db2.gz DBGLZBQRTMCMQR-OAHLLOKOSA-N 1 0 321.852 2.190 40 0 biogenic,in-vitro DEABRO COCC[N@@H+]1CCC[C@@H](c2cc(-c3cc[nH]n3)nc(C)n2)C1 ZINC000257201768 402702247 /nfs/dbraw/zinc/70/22/47/402702247.db2.gz AIZNZOLXTGWRQM-CYBMUJFWSA-N 1 0 301.394 2.001 40 0 DEABRO Cc1nnccc1NC(=O)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000333507285 403768871 /nfs/dbraw/zinc/76/88/71/403768871.db2.gz DOFIXLWTODUNCI-AWEZNQCLSA-N 1 0 303.410 2.125 40 0 DEABRO COc1ccc(C(=O)N2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)c(O)c1 ZINC000333853805 403885945 /nfs/dbraw/zinc/88/59/45/403885945.db2.gz QNANDSWZDMVTSN-IUODEOHRSA-N 1 0 304.390 2.005 40 0 DEABRO O=C(c1ccc2c(c1)OCO2)N1CC[NH2+]C[C@H]1c1ccccc1 ZINC000313347867 403983342 /nfs/dbraw/zinc/98/33/42/403983342.db2.gz JJGUSMVNRAIXLX-HNNXBMFYSA-N 1 0 310.353 2.202 40 0 DEABRO Clc1cc(NCCC2CC[NH2+]CC2)nc(-c2ccncc2)n1 ZINC000329028667 404207778 /nfs/dbraw/zinc/20/77/78/404207778.db2.gz PWNPHYRMUWZDGG-UHFFFAOYSA-N 1 0 317.824 2.416 40 0 DEABRO CCOC[C@H]1CCn2cncc2C[N@@H+]1Cc1ccc(CO)cc1 ZINC000585097516 405865761 /nfs/dbraw/zinc/86/57/61/405865761.db2.gz MOSORZGLBLDPDX-QGZVFWFLSA-N 1 0 315.417 2.186 40 0 DEABRO Cc1nc(C(F)(F)F)ccc1C(=O)N[C@@H]1CCC[NH2+]CC1 ZINC000257198008 424888940 /nfs/dbraw/zinc/88/89/40/424888940.db2.gz PXNCJHZCEJRQAF-SNVBAGLBSA-N 1 0 301.312 2.281 40 0 DEABRO C[C@H]([NH3+])C(=O)Nc1ccc2c(c1)oc(=O)cc2C(F)(F)F ZINC000002517160 274501838 /nfs/dbraw/zinc/50/18/38/274501838.db2.gz XOLSUKMEFPGXNO-LURJTMIESA-N 1 0 300.236 2.098 40 0 in-vitro DEABRO CC1(C)Oc2ccccc2[C@@H]2O[C@@H]3CC[NH2+]C[C@]3(CO)C[C@H]21 ZINC000257320409 276157388 /nfs/dbraw/zinc/15/73/88/276157388.db2.gz VWRITTBURKXWJB-KBEGMRNHSA-N 1 0 303.402 2.276 40 0 DEABRO COc1ccc2[nH]c3c(c2c1)CCN(C(C)=O)C31CC[NH2+]CC1 ZINC000072325812 277940593 /nfs/dbraw/zinc/94/05/93/277940593.db2.gz LTNGXZLQOPTUIC-UHFFFAOYSA-N 1 0 313.401 2.160 40 0 DEABRO CCN(C(=O)OC(C)(C)C)[C@H]1CCCC[C@@H]1NC(=O)[C@H](C)[NH3+] ZINC000079409747 279004580 /nfs/dbraw/zinc/00/45/80/279004580.db2.gz JPXOSCKLCVIHBC-AVGNSLFASA-N 1 0 313.442 2.018 40 0 DEABRO CN(C(=O)OCc1ccccc1)[C@@H]1CCCC[C@H]1[NH2+]CCO ZINC000079411003 185170057 /nfs/dbraw/zinc/17/00/57/185170057.db2.gz SPNCDUKKHPBKJA-HZPDHXFCSA-N 1 0 306.406 2.148 40 0 DEABRO C[N@H+](CCO)[C@@H]1CCCC[C@@H]1NC(=O)OCc1ccccc1 ZINC000079391660 185168460 /nfs/dbraw/zinc/16/84/60/185168460.db2.gz ZSHOWMOZMRPPRU-JKSUJKDBSA-N 1 0 306.406 2.148 40 0 DEABRO CC(C)(C)OC(=O)NCCCC[C@@H]([NH3+])NC(=O)c1ccccc1 ZINC000003593051 181038048 /nfs/dbraw/zinc/03/80/48/181038048.db2.gz DHAIQBUXEURGMK-AWEZNQCLSA-N 1 0 321.421 2.396 40 0 DEABRO CC[NH+](CC)CCNc1c(C(C)=O)nnn1-c1ccccc1 ZINC000004943219 181176867 /nfs/dbraw/zinc/17/68/67/181176867.db2.gz SAPASDPVMYMHLN-UHFFFAOYSA-N 1 0 301.394 2.224 40 0 DEABRO C[C@H]1C[C@H](C)C[NH+](C[C@H](O)COCc2ccc3c(c2)OCO3)C1 ZINC000005050540 181197083 /nfs/dbraw/zinc/19/70/83/181197083.db2.gz MYTGYLYFMWBPSL-DZKIICNBSA-N 1 0 321.417 2.271 40 0 DEABRO Cc1cnc(NCC[C@@H]2CCOC23C[NH+](C2CCCC2)C3)nc1 ZINC000585103362 540256470 /nfs/dbraw/zinc/25/64/70/540256470.db2.gz UZNVJXSBBQCVAF-OAHLLOKOSA-N 1 0 316.449 2.621 40 0 DEABRO CCn1cc(C[N@@H+]2CCC[C@@]3(CCC(=O)N3CCF)CC2)cn1 ZINC000585100227 357332939 /nfs/dbraw/zinc/33/29/39/357332939.db2.gz ICFKJHSSNUREFK-QGZVFWFLSA-N 1 0 322.428 2.220 40 0 DEABRO Cc1cn(C)c([C@H]2CC[N@H+](Cc3cnn4c3nc(C)cc4C)C2)n1 ZINC000257310081 203035251 /nfs/dbraw/zinc/03/52/51/203035251.db2.gz UDPWWSOPYBWJDA-HNNXBMFYSA-N 1 0 324.432 2.378 40 0 DEABRO CNc1cnc(C[C@@H]2CCC[N@H+](Cc3cnc[nH]3)CC2)cn1 ZINC000257294098 203018271 /nfs/dbraw/zinc/01/82/71/203018271.db2.gz QSKLTJBOMNZQGB-CYBMUJFWSA-N 1 0 300.410 2.086 40 0 DEABRO COc1cccc(OC)c1C[NH+]1CCC2(CC1)OCCC[C@@H]2O ZINC000257318333 203042464 /nfs/dbraw/zinc/04/24/64/203042464.db2.gz VNLLIDFKPVWKQB-KRWDZBQOSA-N 1 0 321.417 2.210 40 0 DEABRO Cc1ncccc1O[C@@H]1CC[C@@H]2C[N@@H+](Cc3cncn3C)C[C@H]12 ZINC000257318910 203043327 /nfs/dbraw/zinc/04/33/27/203043327.db2.gz VPXWQZDPYKSIFG-UWWQBHOKSA-N 1 0 312.417 2.413 40 0 DEABRO CCOc1ncccc1C(=O)N1CC[C@H]2[NH2+]CCCC[C@H]2C1 ZINC000257317897 203043626 /nfs/dbraw/zinc/04/36/26/203043626.db2.gz VLPUMECYLXWNQK-DZGCQCFKSA-N 1 0 303.406 2.085 40 0 DEABRO CN(C(=O)Cc1cccs1)[C@@H]1CCC[C@@H]([NH+]2CCCC2)[C@@H]1O ZINC000257342862 203065387 /nfs/dbraw/zinc/06/53/87/203065387.db2.gz ZQKIHVGDVIMSKO-BFYDXBDKSA-N 1 0 322.474 2.127 40 0 DEABRO CCN(C(=O)OC(C)(C)C)[C@H]1CCCC[C@H]1NC(=O)[C@H](C)[NH3+] ZINC000079409754 284193957 /nfs/dbraw/zinc/19/39/57/284193957.db2.gz JPXOSCKLCVIHBC-XQQFMLRXSA-N 1 0 313.442 2.018 40 0 DEABRO O[C@@H]1C[C@@H](c2nc(-c3ccccc3)no2)N(Cc2ccncc2)C1 ZINC000015674101 182011685 /nfs/dbraw/zinc/01/16/85/182011685.db2.gz WYXFRKMCTHLIHO-CVEARBPZSA-N 1 0 322.368 2.440 40 0 biogenic,in-vitro DEABRO CC(=O)N1CCC[C@H](c2[nH]c3cccnc3c2C[NH+](C)C)C1 ZINC000019016943 182103731 /nfs/dbraw/zinc/10/37/31/182103731.db2.gz ZAFAKAATFQCINM-ZDUSSCGKSA-N 1 0 300.406 2.350 40 0 DEABRO O=C(NCCNc1cc[nH+]cc1)[C@@H]1CC[C@H]1c1ccc(F)cc1 ZINC000530262708 284389618 /nfs/dbraw/zinc/38/96/18/284389618.db2.gz XTUCPZGVHJMGRE-DLBZAZTESA-N 1 0 313.376 2.365 40 0 DEABRO CC(=O)N[C@@H](c1ccccn1)C1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000019020439 182103600 /nfs/dbraw/zinc/10/36/00/182103600.db2.gz NGQNHBIFCGPSPW-CRAIPNDOSA-N 1 0 317.433 2.007 40 0 DEABRO CCC(C)(C)n1nnnc1CN1CC[NH+](C2CCCCC2)CC1 ZINC000019499754 182126185 /nfs/dbraw/zinc/12/61/85/182126185.db2.gz KHMMBCPSRJPNLA-UHFFFAOYSA-N 1 0 320.485 2.269 40 0 DEABRO CCN(C(=O)c1cc(-c2ccccn2)n[nH]1)C1CC[NH+](C)CC1 ZINC000019657048 182134426 /nfs/dbraw/zinc/13/44/26/182134426.db2.gz UQROHTZECHVCEJ-UHFFFAOYSA-N 1 0 313.405 2.028 40 0 DEABRO CCn1cncc1C(=O)N1CCC([C@@H]2CCCC[N@@H+]2C)CC1 ZINC000019747068 182142122 /nfs/dbraw/zinc/14/21/22/182142122.db2.gz VWQNZOHKTUWOJM-HNNXBMFYSA-N 1 0 304.438 2.240 40 0 DEABRO CC1CC[NH+](C[C@H](O)COCCOc2ccc(F)cc2)CC1 ZINC000041690200 183217558 /nfs/dbraw/zinc/21/75/58/183217558.db2.gz LSQFMNJQRFSJSP-INIZCTEOSA-N 1 0 311.397 2.314 40 0 DEABRO Cc1ccc(S(=O)(=O)[C@@H]2[C@H]([NH3+])[C@H]2c2ccc(F)cc2)cc1 ZINC000242548642 257120526 /nfs/dbraw/zinc/12/05/26/257120526.db2.gz LQWDJTHPWRVSPY-OAGGEKHMSA-N 1 0 305.374 2.401 40 0 DEABRO C[C@@H]1C[C@H](C)CN(c2ncnc3c2cnn3C2CC[NH2+]CC2)C1 ZINC000228923277 257214504 /nfs/dbraw/zinc/21/45/04/257214504.db2.gz PADNVIDOLHOIIB-BETUJISGSA-N 1 0 314.437 2.233 40 0 DEABRO c1nn(C2CC[NH2+]CC2)c2ncnc(NCc3ccccc3)c12 ZINC000228922961 257214536 /nfs/dbraw/zinc/21/45/36/257214536.db2.gz JJWSUEQKXOEXJK-UHFFFAOYSA-N 1 0 308.389 2.363 40 0 DEABRO COc1ccc(C(=O)N2CCC[C@]3(C[N@H+](C)CCO3)CC2)cc1 ZINC000306131887 533301389 /nfs/dbraw/zinc/30/13/89/533301389.db2.gz KSCIMHRKYGJYOL-GOSISDBHSA-N 1 0 318.417 2.022 40 0 DEABRO O=c1[nH]c(N2CCCCC2)nc2c1C[N@H+](Cc1ccccc1)CC2 ZINC000012145342 401780457 /nfs/dbraw/zinc/78/04/57/401780457.db2.gz RDHNNHBIBSLCJC-UHFFFAOYSA-N 1 0 324.428 2.319 40 0 DEABRO O=c1oc2ccccc2n1[C@@H]1CCC[N@H+](C[C@@H]2CCOC2)C1 ZINC000012336914 401783746 /nfs/dbraw/zinc/78/37/46/401783746.db2.gz DLCHUJATCCOBPN-UONOGXRCSA-N 1 0 302.374 2.268 40 0 DEABRO COC(=O)c1ccc(OC[C@H](O)C[N@H+]2[C@H](C)CCC[C@@H]2C)cc1 ZINC000012377861 401784322 /nfs/dbraw/zinc/78/43/22/401784322.db2.gz CUFRZKWDNHHNAV-IJEWVQPXSA-N 1 0 321.417 2.476 40 0 DEABRO Cc1nccn1C[C@@H](C)C(=O)N[C@H](C)C[NH+]1CCCCCC1 ZINC000019287746 401822258 /nfs/dbraw/zinc/82/22/58/401822258.db2.gz ZFUQJLBEIJNEON-HUUCEWRRSA-N 1 0 306.454 2.208 40 0 DEABRO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1Cc1cnc(N2CCCCC2)nc1 ZINC000019575198 401822354 /nfs/dbraw/zinc/82/23/54/401822354.db2.gz VGTHMCIEADFXIZ-WBVHZDCISA-N 1 0 315.465 2.135 40 0 DEABRO CC(C)(C)OC(=O)N1CC[NH2+]C[C@@H]1c1ccc2c(c1)OCO2 ZINC000022115969 401826372 /nfs/dbraw/zinc/82/63/72/401826372.db2.gz MFINXMPWYQMSFS-GFCCVEGCSA-N 1 0 306.362 2.297 40 0 DEABRO c1cc(C[N@@H+]2CC[C@]3(C[C@@H](Oc4ccccn4)CO3)C2)co1 ZINC000096107823 402059029 /nfs/dbraw/zinc/05/90/29/402059029.db2.gz VQEDGFSHZGMSEL-WBVHZDCISA-N 1 0 300.358 2.487 40 0 DEABRO Cc1noc([C@@H]2CC[C@@H]3[C@@H](CCN3CC[NH+]3CCCCC3)O2)n1 ZINC000096040888 402048789 /nfs/dbraw/zinc/04/87/89/402048789.db2.gz KZEVCDVREVFDHQ-OAGGEKHMSA-N 1 0 320.437 2.158 40 0 DEABRO COCCN1C(=O)CC[C@]12CCC[N@H+](Cc1ccco1)CC2 ZINC000096047511 402050107 /nfs/dbraw/zinc/05/01/07/402050107.db2.gz KZLBLBSCYWAAPS-KRWDZBQOSA-N 1 0 306.406 2.273 40 0 DEABRO Cc1ccc(C[N@@H+]2C[C@@H](C(=O)N3CCCC3)C[C@H]3OCC[C@H]32)o1 ZINC000096057606 402053219 /nfs/dbraw/zinc/05/32/19/402053219.db2.gz OYZXYZDCAPHPJP-USXIJHARSA-N 1 0 318.417 2.190 40 0 DEABRO Cc1noc([C@@H]2CC[C@@H]3[C@@H](CC[N@@H+]3Cc3cccnc3)O2)n1 ZINC000096057358 402053392 /nfs/dbraw/zinc/05/33/92/402053392.db2.gz XJBHFEHBKRVRIT-KFWWJZLASA-N 1 0 300.362 2.268 40 0 DEABRO COC[C@]12CCCO[C@@H]1CC[N@H+](Cc1ccc3c(c1)OCO3)C2 ZINC000096064981 402055285 /nfs/dbraw/zinc/05/52/85/402055285.db2.gz IHXWMLCYEYRLKV-QZTJIDSGSA-N 1 0 319.401 2.433 40 0 DEABRO CCCN1Cc2nccn2C[C@H](C[N@H+](C)Cc2ccco2)C1 ZINC000096067116 402055926 /nfs/dbraw/zinc/05/59/26/402055926.db2.gz RQKKRRAXLRNSJU-OAHLLOKOSA-N 1 0 302.422 2.450 40 0 DEABRO O=C(C[C@H]1OC[C@H]2C[N@H+](Cc3ccoc3)CC[C@@H]12)NCC1CC1 ZINC000096207043 402069826 /nfs/dbraw/zinc/06/98/26/402069826.db2.gz KILRMCFZXMKVGA-BRWVUGGUSA-N 1 0 318.417 2.033 40 0 DEABRO c1cnc(N2CCC[C@@]3(CC[N@@H+](Cc4ccncc4)C3)C2)nc1 ZINC000096216860 402070151 /nfs/dbraw/zinc/07/01/51/402070151.db2.gz JCUBFRWWRNAFPE-SFHVURJKSA-N 1 0 309.417 2.364 40 0 DEABRO 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CCn1c(SCc2cccnc2)nnc1C1CC[NH2+]CC1 ZINC000004931678 181174525 /nfs/dbraw/zinc/17/45/25/181174525.db2.gz XZYPFMYDJSWRMR-UHFFFAOYSA-N 1 0 303.435 2.452 40 0 DEABRO CCOC(=O)c1cn2ccccc2c(C(=O)c2cccnc2)c1=[NH2+] ZINC000005373947 181236011 /nfs/dbraw/zinc/23/60/11/181236011.db2.gz BDLGXKHENKJTPC-UHFFFAOYSA-N 1 0 321.336 2.221 40 0 DEABRO O=C1CC[C@]2(CCC[N@H+](CC3CC3)CC2)N1C[C@@H]1CCCO1 ZINC000585099892 357333145 /nfs/dbraw/zinc/33/31/45/357333145.db2.gz URGDEMQLYCJNFD-WMZOPIPTSA-N 1 0 306.450 2.423 40 0 DEABRO Cc1nc[nH]c1C[N@@H+]1CC[C@@](O)(COc2ccccc2C)C1 ZINC000585274354 357340741 /nfs/dbraw/zinc/34/07/41/357340741.db2.gz JMKJUYCYSPBANX-KRWDZBQOSA-N 1 0 301.390 2.042 40 0 DEABRO CNC(=O)CC[C@]1(O)CCC[N@H+](Cc2ccc3[nH]ccc3c2)C1 ZINC000585279405 357343074 /nfs/dbraw/zinc/34/30/74/357343074.db2.gz YUGPLCVQBLUZRB-GOSISDBHSA-N 1 0 315.417 2.021 40 0 DEABRO Cc1n[nH]c(C)c1C[N@@H+]1CC[C@](O)(COc2ccccc2)C1 ZINC000585278427 357343793 /nfs/dbraw/zinc/34/37/93/357343793.db2.gz SJRCQFMZZNSNNG-QGZVFWFLSA-N 1 0 301.390 2.042 40 0 DEABRO CC(=O)N[C@@H]1CN(Cc2ccc(F)cc2)C2(C1)CC[NH+](C)CC2 ZINC000257282915 203011028 /nfs/dbraw/zinc/01/10/28/203011028.db2.gz OVWJSBZRYKDKAB-KRWDZBQOSA-N 1 0 319.424 2.001 40 0 DEABRO O=C(C[NH+]1CCCC1)N1C[C@@H]2CC[C@H](Oc3ccccc3)[C@@H]2C1 ZINC000257289156 203015461 /nfs/dbraw/zinc/01/54/61/203015461.db2.gz PXFHFKHNLMBIAA-JQHSSLGASA-N 1 0 314.429 2.398 40 0 DEABRO CN(c1ccncn1)C1CC2(C1)CC[N@H+](Cc1ccccn1)C2 ZINC000257321702 203046475 /nfs/dbraw/zinc/04/64/75/203046475.db2.gz WCUSFEGHTWDLMV-UHFFFAOYSA-N 1 0 309.417 2.363 40 0 DEABRO CC(=O)N[C@@H](c1ccccn1)C1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000019020434 182104081 /nfs/dbraw/zinc/10/40/81/182104081.db2.gz NGQNHBIFCGPSPW-MAUKXSAKSA-N 1 0 317.433 2.007 40 0 DEABRO COc1cccc(C[NH2+][C@@H]2COC[C@H]2Cc2cc(C)no2)c1 ZINC000019120665 182105480 /nfs/dbraw/zinc/10/54/80/182105480.db2.gz ZOFPEFCKHSWUNP-RHSMWYFYSA-N 1 0 302.374 2.339 40 0 DEABRO Cc1ccc(C2(O)CC[NH+](CCNC(=O)[C@H]3C[C@H]3C)CC2)cc1 ZINC000019208569 182107332 /nfs/dbraw/zinc/10/73/32/182107332.db2.gz XHIRYQMXWMLIFV-WBVHZDCISA-N 1 0 316.445 2.051 40 0 DEABRO OC1(Cn2ccc3ncccc32)CC[NH+](Cc2ccccn2)CC1 ZINC000019401548 182121552 /nfs/dbraw/zinc/12/15/52/182121552.db2.gz BBNLBSVQJQUONZ-UHFFFAOYSA-N 1 0 322.412 2.458 40 0 DEABRO COc1cccc(CN2CCc3nc([C@@H]4CCC[NH2+]4)ncc3C2)c1 ZINC000019565450 182130579 /nfs/dbraw/zinc/13/05/79/182130579.db2.gz QYABVKGZZGSPEL-SFHVURJKSA-N 1 0 324.428 2.468 40 0 DEABRO CC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)Nc1ccc(C(C)C)cc1 ZINC000119913598 195061284 /nfs/dbraw/zinc/06/12/84/195061284.db2.gz INNBRJZEBHYXFI-MRXNPFEDSA-N 1 0 317.433 2.349 40 0 DEABRO CNc1cc(N2CCc3cc(OC)c(OC)cc3C2)nc(C)[nH+]1 ZINC000321821269 533053143 /nfs/dbraw/zinc/05/31/43/533053143.db2.gz NZSXNLSOOYGYER-UHFFFAOYSA-N 1 0 314.389 2.407 40 0 DEABRO CC(C)[C@H](NC(=O)OC(C)(C)C)[C@@](O)(C[NH3+])c1ccccc1 ZINC000072207947 257128428 /nfs/dbraw/zinc/12/84/28/257128428.db2.gz ZFTLPBPZBWLJAC-WMLDXEAASA-N 1 0 308.422 2.382 40 0 DEABRO COc1ccc([C@@H]2[C@H](C[NH3+])[C@@H]2S(=O)(=O)c2ccccc2)cc1 ZINC000218097760 257131195 /nfs/dbraw/zinc/13/11/95/257131195.db2.gz SXJFNECNOKYECL-BBWFWOEESA-N 1 0 317.410 2.210 40 0 DEABRO CN1C(=O)c2ccc(F)cc2O[C@H]2C[N@H+](C3CCCC3)C[C@H]21 ZINC000514288625 257216060 /nfs/dbraw/zinc/21/60/60/257216060.db2.gz IDQHSIMMAKXNIR-ZBFHGGJFSA-N 1 0 304.365 2.286 40 0 biogenic,in-vitro DEABRO [NH3+][C@@H]1CC=C(COC(=O)[C@](O)(c2ccccc2)C2CC2)CC1 ZINC000001641830 401708889 /nfs/dbraw/zinc/70/88/89/401708889.db2.gz NVDXAHVZTJDPLS-AEFFLSMTSA-N 1 0 301.386 2.265 40 0 DEABRO CC[NH+](CC)CCOC(=O)c1ccc(OC)c(OC)c1OC ZINC000001707973 401709565 /nfs/dbraw/zinc/70/95/65/401709565.db2.gz NDDGSKDZVHADHG-UHFFFAOYSA-N 1 0 311.378 2.211 40 0 DEABRO COc1ccc(NC(=O)[C@@H](C)SC2=[NH+]CCN2)cc1Cl ZINC000001792185 401711082 /nfs/dbraw/zinc/71/10/82/401711082.db2.gz QZDDPXIJCWTOCB-MRVPVSSYSA-N 1 0 313.810 2.368 40 0 DEABRO CCOc1c(Br)cc(C[NH2+]C[C@H](C)O)cc1OC ZINC000008253352 401750413 /nfs/dbraw/zinc/75/04/13/401750413.db2.gz SKYVKEWDQZSUBG-VIFPVBQESA-N 1 0 318.211 2.327 40 0 DEABRO CC(C)C[N@@H+]1CCc2c(nc(N3CCC(C)CC3)[nH]c2=O)C1 ZINC000012184789 401781015 /nfs/dbraw/zinc/78/10/15/401781015.db2.gz LBIDGFVFAAZWIA-UHFFFAOYSA-N 1 0 304.438 2.020 40 0 DEABRO O=C(Cn1cccc2cc([C@H]3CCC[NH2+]C3)nc1-2)N1CCCC1 ZINC000012234127 401781842 /nfs/dbraw/zinc/78/18/42/401781842.db2.gz XXWLFWDGMJNXGK-HNNXBMFYSA-N 1 0 312.417 2.077 40 0 DEABRO CCOC(=O)CN1Cc2c(ccc(Cl)c2Cl)NC1=[NH2+] ZINC000020167663 401823534 /nfs/dbraw/zinc/82/35/34/401823534.db2.gz PLLYNUUCBINGLY-UHFFFAOYSA-N 1 0 302.161 2.318 40 0 DEABRO C[C@H]1CCC[N@H+](CCCNC(=O)c2ccc3c(c2)OCCO3)C1 ZINC000046960020 401976217 /nfs/dbraw/zinc/97/62/17/401976217.db2.gz GNJVWQJZXODGAI-AWEZNQCLSA-N 1 0 318.417 2.310 40 0 DEABRO C(C[NH+]1CCCCC1)N1CCO[C@H]2[C@H](OCC3CC3)CC[C@@H]21 ZINC000096041610 402049008 /nfs/dbraw/zinc/04/90/08/402049008.db2.gz OJZXKKGWCJAELF-RCCFBDPRSA-N 1 0 308.466 2.131 40 0 DEABRO CC(C)NC(=O)[C@H]1C[C@@H]2CC[N@H+](Cc3ccsc3)C[C@H]2O1 ZINC000096042680 402049524 /nfs/dbraw/zinc/04/95/24/402049524.db2.gz CXDBKAZXAPHONQ-RRFJBIMHSA-N 1 0 308.447 2.252 40 0 DEABRO c1c2c(nn1CC1CCOCC1)[C@H](C[NH2+]C1CCCC1)OCC2 ZINC000096044450 402049729 /nfs/dbraw/zinc/04/97/29/402049729.db2.gz STDKNGMZJRYNQY-KRWDZBQOSA-N 1 0 319.449 2.456 40 0 DEABRO O=C([C@H]1C[C@H]2OCC[C@H]2[N@H+](Cc2cccs2)C1)N1CCCC1 ZINC000096057601 402053561 /nfs/dbraw/zinc/05/35/61/402053561.db2.gz UHEZCHUHJDYQPS-NUEKZKHPSA-N 1 0 320.458 2.350 40 0 DEABRO Fc1ccc(C[N@@H+]2CC[C@]3(C[C@H](n4cnnc4)CO3)C2)cc1 ZINC000096072868 402056412 /nfs/dbraw/zinc/05/64/12/402056412.db2.gz WHDVPFXQBHJCDM-HOTGVXAUSA-N 1 0 302.353 2.023 40 0 DEABRO CN(C)C(=O)N[C@H]1CCO[C@]2(CC[N@H+](CC3CCCC3)C2)C1 ZINC000096206213 402069531 /nfs/dbraw/zinc/06/95/31/402069531.db2.gz FJINTLMDCQNLPE-DOTOQJQBSA-N 1 0 309.454 2.071 40 0 DEABRO COc1cc(N2CCC[C@@]3(CC[N@H+](CC4CC4)C3)C2)ncn1 ZINC000096216585 402070783 /nfs/dbraw/zinc/07/07/83/402070783.db2.gz QIEBAPVNYSILCC-KRWDZBQOSA-N 1 0 302.422 2.188 40 0 DEABRO CC[N@@H+]1C[C@@H](COC)[C@]2(CCN(C(=O)c3ccc(C)o3)C2)C1 ZINC000096218468 402070998 /nfs/dbraw/zinc/07/09/98/402070998.db2.gz LSUBVYJPMUIJPB-WMLDXEAASA-N 1 0 306.406 2.018 40 0 DEABRO CC(C)[N@@H+]1CC[C@]2(CC(C(=O)NCc3ccc(F)cc3)=NO2)C1 ZINC000096226088 402072453 /nfs/dbraw/zinc/07/24/53/402072453.db2.gz BUMNEDWVCOLVCM-KRWDZBQOSA-N 1 0 319.380 2.071 40 0 DEABRO FC1(F)CC[N@H+](CC2CC2)C[C@]12CCN(c1ncccn1)C2 ZINC000096239700 402073667 /nfs/dbraw/zinc/07/36/67/402073667.db2.gz NDHDKBKKUJDLJW-HNNXBMFYSA-N 1 0 308.376 2.424 40 0 DEABRO CC(C)[N@@H+]1CCO[C@@H]2CN(C(=O)Cc3ccsc3)CC[C@@H]2C1 ZINC000096249582 402074974 /nfs/dbraw/zinc/07/49/74/402074974.db2.gz RNPMRUBJWUGIIO-HZPDHXFCSA-N 1 0 322.474 2.248 40 0 DEABRO CC(C)CC[N@@H+]1C[C@H]2C[C@H](C(=O)NCc3ccccc3)[C@@H](C1)O2 ZINC000096253447 402075041 /nfs/dbraw/zinc/07/50/41/402075041.db2.gz VDVKTBSRNTUVHG-FGTMMUONSA-N 1 0 316.445 2.438 40 0 DEABRO Cn1cc(N2C(=O)CC[C@@H]3[C@H]2CC[N@@H+]3Cc2ccsc2)cn1 ZINC000096186479 402066052 /nfs/dbraw/zinc/06/60/52/402066052.db2.gz IVRMJPOPADOUNL-HUUCEWRRSA-N 1 0 316.430 2.252 40 0 DEABRO Cc1noc(C)c1C[N@@H+]1C[C@H](OCC2CC2)[C@H]2OCCC[C@H]21 ZINC000096187057 402066167 /nfs/dbraw/zinc/06/61/67/402066167.db2.gz PWZAUCFOYSEGIC-IKGGRYGDSA-N 1 0 306.406 2.450 40 0 DEABRO O=C(NC[C@H]1OC[C@H]2C[N@H+](Cc3ccccc3)CC[C@H]21)C1CC1 ZINC000096187322 402066214 /nfs/dbraw/zinc/06/62/14/402066214.db2.gz VMKDMTGNZRCFDV-KZNAEPCWSA-N 1 0 314.429 2.050 40 0 DEABRO O=C1C[C@@H](c2ccncc2)C2(CC[NH+](Cc3ccccn3)CC2)N1 ZINC000096199915 402068040 /nfs/dbraw/zinc/06/80/40/402068040.db2.gz BPMBTOVVLPKGIZ-KRWDZBQOSA-N 1 0 322.412 2.115 40 0 DEABRO Cc1cccc(C[N@@H+]2CCC[C@]23CCN(c2nncs2)C3)n1 ZINC000096203083 402068914 /nfs/dbraw/zinc/06/89/14/402068914.db2.gz IDIBMJHUCHXNCY-MRXNPFEDSA-N 1 0 315.446 2.486 40 0 DEABRO Cc1ccc(CN2CCO[C@@H]3[C@@H](COCC[NH+](C)C)CC[C@H]32)o1 ZINC000107747110 402240023 /nfs/dbraw/zinc/24/00/23/402240023.db2.gz AUVLPZCVMAQXIR-KBAYOESNSA-N 1 0 322.449 2.146 40 0 DEABRO Cc1ccc(S(=O)(=O)[C@@H]2[C@@H]([NH3+])[C@@H]2c2ccc(F)cc2)cc1 ZINC000218561780 402295994 /nfs/dbraw/zinc/29/59/94/402295994.db2.gz LQWDJTHPWRVSPY-JYJNAYRXSA-N 1 0 305.374 2.401 40 0 DEABRO C[C@@H](Oc1cccc2c1CCCC2)C(=O)N1CCN(C)CC1 ZINC000224852988 402314809 /nfs/dbraw/zinc/31/48/09/402314809.db2.gz RLKZVZUNGDUGBD-CQSZACIVSA-N 1 0 302.418 2.107 40 0 DEABRO S=C(NC1CCCC1)NC1CC[NH+](Cc2ccccn2)CC1 ZINC000225232485 402315981 /nfs/dbraw/zinc/31/59/81/402315981.db2.gz IAPLXYLVLZLDRC-UHFFFAOYSA-N 1 0 318.490 2.453 40 0 DEABRO COc1cccnc1NC(=S)NCCC[NH+]1CCCCC1 ZINC000225411712 402316579 /nfs/dbraw/zinc/31/65/79/402316579.db2.gz VKLHDWUUNBYFSS-UHFFFAOYSA-N 1 0 308.451 2.253 40 0 DEABRO Cn1nc([C@@H]2C[NH2+]CCO2)cc1CCOc1ccc(Cl)cc1 ZINC000257235886 402706665 /nfs/dbraw/zinc/70/66/65/402706665.db2.gz GZZGFPQYNMTQLH-INIZCTEOSA-N 1 0 321.808 2.356 40 0 DEABRO CCn1ccnc1C[N@@H+]1C[C@@H]2CC[C@@H](Nc3cnccn3)[C@@H]2C1 ZINC000257246556 402708152 /nfs/dbraw/zinc/70/81/52/402708152.db2.gz IURBGZNZWSRQRJ-RRFJBIMHSA-N 1 0 312.421 2.016 40 0 DEABRO CC[NH2+][C@@H]1CCOC2(CCN(C(=O)c3scnc3C)CC2)C1 ZINC000257255666 402709665 /nfs/dbraw/zinc/70/96/65/402709665.db2.gz KIJXCTOJQPLFIO-CYBMUJFWSA-N 1 0 323.462 2.215 40 0 DEABRO CC[NH+](CC)C[C@@H]1CN(Cc2cccc(C)n2)Cc2cncn21 ZINC000306128096 279125830 /nfs/dbraw/zinc/12/58/30/279125830.db2.gz GPZCSECGYGIHLC-GOSISDBHSA-N 1 0 313.449 2.485 40 0 DEABRO Cc1csc(CN2CC[C@H]3OCC[C@@]3(c3nc(C)no3)C2)n1 ZINC000097953339 332203370 /nfs/dbraw/zinc/20/33/70/332203370.db2.gz YCCCYYYVCIZDSJ-IUODEOHRSA-N 1 0 320.418 2.076 40 0 DEABRO O=c1oc2ccccc2n1[C@@H]1CCC[N@H+](C[C@H]2CCOC2)C1 ZINC000247797999 341370337 /nfs/dbraw/zinc/37/03/37/341370337.db2.gz DLCHUJATCCOBPN-ZIAGYGMSSA-N 1 0 302.374 2.268 40 0 DEABRO Cc1cccc(CN2CC[C@H]3[C@H]2CC[N@@H+]3CC2CCOCC2)n1 ZINC000306126608 534712017 /nfs/dbraw/zinc/71/20/17/534712017.db2.gz DZZWTRHPYZMMOQ-RBUKOAKNSA-N 1 0 315.461 2.465 40 0 DEABRO C[NH+](C)CCN1CC[C@@H]2[C@H]1CCN2C(=O)c1cccc(Cl)c1 ZINC000299853212 637010595 /nfs/dbraw/zinc/01/05/95/637010595.db2.gz HQZSSAONFCUARV-HZPDHXFCSA-N 1 0 321.852 2.190 40 0 DEABRO CC[NH+](CC)C[C@@H]1CCN(C(=O)Nc2c(C)nn(C)c2C)C1 ZINC001548453324 1072647838 /nfs/dbraw/zinc/64/78/38/1072647838.db2.gz FZOLKYYGMFIALT-AWEZNQCLSA-N 1 0 307.442 2.233 40 0 DEABRO C[C@@H]1CCCC[N@@H+]1CC(=O)N1CCN(c2ccccc2)CC1 ZINC000000806699 1076948641 /nfs/dbraw/zinc/94/86/41/1076948641.db2.gz LUAGHFHLRIJNDM-MRXNPFEDSA-N 1 0 301.434 2.210 40 0 DEABRO Cc1ncc2c(n1)[C@@]1(CC[N@H+](C[C@H]3C[C@@H]4C=C[C@H]3C4)C1)COC2 ZINC000306132487 282174602 /nfs/dbraw/zinc/17/46/02/282174602.db2.gz LKRKJFLPKCDCOQ-YYAJDYIMSA-N 1 0 311.429 2.471 40 0 DEABRO C[N@@H+]1CC[C@@H](COCC2CC2)CC12CN(C(=O)C1CCC1)C2 ZINC000306129261 529794386 /nfs/dbraw/zinc/79/43/86/529794386.db2.gz HYTQEBKGEDEFLT-OAHLLOKOSA-N 1 0 306.450 2.136 40 0 DEABRO C[C@H]1C[N@@H+]2CCC[C@H]2CN1Cc1ccc(Sc2nc[nH]n2)o1 ZINC000072324542 191123478 /nfs/dbraw/zinc/12/34/78/191123478.db2.gz UVXMCCQSGADFPI-RYUDHWBXSA-N 1 0 319.434 2.217 40 0 DEABRO O=c1[nH]c(-c2ccncc2)nc2c1C[N@H+](Cc1cccs1)CC2 ZINC000072339805 191125880 /nfs/dbraw/zinc/12/58/80/191125880.db2.gz NMWVEHMCFWKBIQ-UHFFFAOYSA-N 1 0 324.409 2.452 40 0 DEABRO Cc1nc(C(=O)NC2CCCCC2)cc([C@@H]2CCC[NH2+]C2)n1 ZINC000072365566 191134087 /nfs/dbraw/zinc/13/40/87/191134087.db2.gz DTUOVYOHDKCGKI-CYBMUJFWSA-N 1 0 302.422 2.315 40 0 DEABRO CNc1ncccc1C[N@@H+]1CC[C@]2(C)[C@H]1CCCCC(=O)N2C ZINC000019713394 354045150 /nfs/dbraw/zinc/04/51/50/354045150.db2.gz IYXVEBAYUDMMJF-CRAIPNDOSA-N 1 0 316.449 2.489 40 0 DEABRO C[NH+]1CCC(CC(=O)N2CCN(Cc3ccccc3)CC2)CC1 ZINC000074920936 191388010 /nfs/dbraw/zinc/38/80/10/191388010.db2.gz OOKKPPMJMJQZOB-UHFFFAOYSA-N 1 0 315.461 2.063 40 0 DEABRO CC(=O)CC[C@@]1(c2cc[n+](C)cc2)CC[C@](C)(O)[C@H](C(C)=O)C1 ZINC000005125316 181206495 /nfs/dbraw/zinc/20/64/95/181206495.db2.gz HIKLFVACCNRXKO-GBESFXJTSA-N 1 0 318.437 2.258 40 0 DEABRO CC(C)(C)OC(=O)N[C@H]1CCN([C@H](C[NH3+])c2ccccc2)C1 ZINC000101038514 355708710 /nfs/dbraw/zinc/70/87/10/355708710.db2.gz HFBDLIGBWDZLIQ-LSDHHAIUSA-N 1 0 305.422 2.285 40 0 DEABRO Cc1nocc1C(=O)N1CCC2(CC([NH+]3CCCC3)C2)CC1 ZINC000585101502 357332996 /nfs/dbraw/zinc/33/29/96/357332996.db2.gz FMSKFEDCUWBYHB-UHFFFAOYSA-N 1 0 303.406 2.464 40 0 DEABRO COCC[N@@H+]1CCC[C@@]2(CCCN2C(=O)c2ccoc2)CC1 ZINC000585100757 357333315 /nfs/dbraw/zinc/33/33/15/357333315.db2.gz VRLZLHYBLIWUOQ-QGZVFWFLSA-N 1 0 306.406 2.387 40 0 DEABRO CC1CC(C(=O)N2CC[C@]3(C2)C[N@H+](C)C[C@H]3COCC2CC2)C1 ZINC000585103404 357334131 /nfs/dbraw/zinc/33/41/31/357334131.db2.gz VPRNLTFASAVLCB-HJRFIPHPSA-N 1 0 320.477 2.239 40 0 DEABRO COc1ccc(C[N@@H+]2CCC[C@](CCC(N)=O)(OC)C2)c(F)c1 ZINC000585276767 357342657 /nfs/dbraw/zinc/34/26/57/357342657.db2.gz DQXKUJNFUILGQD-QGZVFWFLSA-N 1 0 324.396 2.081 40 0 DEABRO Cc1n[nH]c(C)c1C[N@@H+]1CC[C@@](O)(COc2cccc(F)c2)C1 ZINC000585275404 357342730 /nfs/dbraw/zinc/34/27/30/357342730.db2.gz BIYOCELXLXWBJV-KRWDZBQOSA-N 1 0 319.380 2.181 40 0 DEABRO Cc1ccc2[nH]c(=O)c(C[NH2+]C[C@@H](O)COC(C)C)cc2c1 ZINC000585291813 357346081 /nfs/dbraw/zinc/34/60/81/357346081.db2.gz DMMOKMDVKFPMSX-OAHLLOKOSA-N 1 0 304.390 2.124 40 0 DEABRO C[NH+](C)CCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1ccco1 ZINC000223252251 201639361 /nfs/dbraw/zinc/63/93/61/201639361.db2.gz ODNXWUXNBOGPDB-LSDHHAIUSA-N 1 0 316.430 2.209 40 0 DEABRO CCN(C(=O)c1ccccn1)[C@@H]1CCOC2(CC[NH+](C)CC2)C1 ZINC000257283704 203012714 /nfs/dbraw/zinc/01/27/14/203012714.db2.gz OZLIDYSEJIYBLH-OAHLLOKOSA-N 1 0 317.433 2.187 40 0 DEABRO Cc1ncc(C(=O)NCc2ccccc2)c(CC2CC[NH2+]CC2)n1 ZINC000257331111 203054208 /nfs/dbraw/zinc/05/42/08/203054208.db2.gz XRJZDJSWRFKCKA-UHFFFAOYSA-N 1 0 324.428 2.257 40 0 DEABRO [NH3+]Cc1cnn(-c2ccccc2C(=O)NCc2ccc(F)cc2)c1 ZINC000257317139 203041697 /nfs/dbraw/zinc/04/16/97/203041697.db2.gz VINRANUWJIFEHM-UHFFFAOYSA-N 1 0 324.359 2.400 40 0 DEABRO CC(C)[NH+]1CCC(c2cnc(N3C(=O)OC[C@@H]3C)cn2)CC1 ZINC000257336449 203058521 /nfs/dbraw/zinc/05/85/21/203058521.db2.gz YOLVNPPEPPFCAL-LBPRGKRZSA-N 1 0 304.394 2.410 40 0 DEABRO CNc1nccnc1C[C@@H]1CCC[N@H+](CC2CCOCC2)C1 ZINC000257335649 203058886 /nfs/dbraw/zinc/05/88/86/203058886.db2.gz YLEVSOMWXVUILO-HNNXBMFYSA-N 1 0 304.438 2.199 40 0 DEABRO C[NH+](C)[C@@H]1COC2(C1)CCN(C(=O)Cc1cccc(F)c1)CC2 ZINC000096063052 193515773 /nfs/dbraw/zinc/51/57/73/193515773.db2.gz ZBDXXRWSHBIBMM-INIZCTEOSA-N 1 0 320.408 2.080 40 0 DEABRO Cc1nc([C@@H]2CC[N@H+](Cc3ccc(F)c(F)c3)C2)cc(=O)[nH]1 ZINC000019285230 182111784 /nfs/dbraw/zinc/11/17/84/182111784.db2.gz ZXYNEDSDOQHITQ-GFCCVEGCSA-N 1 0 305.328 2.346 40 0 DEABRO CC(C)(C)CC(=O)N1CCc2nc([C@H]3CCC[NH2+]C3)ncc2C1 ZINC000019082718 182104700 /nfs/dbraw/zinc/10/47/00/182104700.db2.gz ADGHNTHUKNGEIQ-ZDUSSCGKSA-N 1 0 316.449 2.265 40 0 DEABRO CC1(C)[C@@H]2CC[C@@H](C2)[C@@]1(C)NC(=O)C[NH2+]CCN1CCCCC1 ZINC000022587066 182327520 /nfs/dbraw/zinc/32/75/20/182327520.db2.gz HPNHNBIPYBQKSL-JTDSTZFVSA-N 1 0 321.509 2.393 40 0 DEABRO OCC[NH2+]CCNCc1ccccc1OCc1ccccc1F ZINC000023468442 182361345 /nfs/dbraw/zinc/36/13/45/182361345.db2.gz FUOHUYCGVFQKIC-UHFFFAOYSA-N 1 0 318.392 2.076 40 0 DEABRO COCC[NH+]1CCC(Cc2cncc(-c3cc(C)[nH]n3)n2)CC1 ZINC000257227126 256618185 /nfs/dbraw/zinc/61/81/85/256618185.db2.gz FNUKTCNNZTYADR-UHFFFAOYSA-N 1 0 315.421 2.076 40 0 DEABRO CC(C)(C)OC(=O)N1CCC([C@](O)(C[NH3+])c2ccccc2)CC1 ZINC000072208123 257127929 /nfs/dbraw/zinc/12/79/29/257127929.db2.gz UKSVOIZZSYDZTQ-SFHVURJKSA-N 1 0 320.433 2.480 40 0 DEABRO CC(C)(C)OC(=O)N1CCC[C@@H]([C@@](O)(C[NH3+])c2ccccc2)C1 ZINC000072208099 257128180 /nfs/dbraw/zinc/12/81/80/257128180.db2.gz QRWKUVKFTZFVNW-CRAIPNDOSA-N 1 0 320.433 2.480 40 0 DEABRO O=C(C[C@@H](c1ccccc1)[C@@H]1CCCC[NH2+]1)N1CCOCC1 ZINC000072208332 257128274 /nfs/dbraw/zinc/12/82/74/257128274.db2.gz YRTFWNXRJFIOKG-IRXDYDNUSA-N 1 0 302.418 2.161 40 0 DEABRO C[C@H]1C[C@H](C)CN(c2ncnc3c2cnn3C2CC[NH2+]CC2)C1 ZINC000228923288 257214483 /nfs/dbraw/zinc/21/44/83/257214483.db2.gz PADNVIDOLHOIIB-STQMWFEESA-N 1 0 314.437 2.233 40 0 DEABRO CC(C)(O)c1cc(CC2([NH+](CC3CC3)CC3CC3)COC2)no1 ZINC000072321904 401709040 /nfs/dbraw/zinc/70/90/40/401709040.db2.gz ZXENAYMJJMOGNM-UHFFFAOYSA-N 1 0 320.433 2.336 40 0 biogenic,in-vitro DEABRO Cc1ccc(C[N@H+](CCCN2CCOCC2)C[C@H]2CCOC2)o1 ZINC000013992795 401805581 /nfs/dbraw/zinc/80/55/81/401805581.db2.gz YCFSOTOOUZQDQL-QGZVFWFLSA-N 1 0 322.449 2.149 40 0 DEABRO CSc1ncc(C(=O)NC(C)(C)C[N@@H+]2CCC[C@H](C)C2)cn1 ZINC000012203333 401781929 /nfs/dbraw/zinc/78/19/29/401781929.db2.gz JCCQKBNFUHGBEX-LBPRGKRZSA-N 1 0 322.478 2.439 40 0 DEABRO CC[C@@H](C)NC(=O)Cn1cccc2cc(C3CC[NH2+]CC3)nc1-2 ZINC000012241874 401782510 /nfs/dbraw/zinc/78/25/10/401782510.db2.gz NVWSHHMEGMQWFQ-CYBMUJFWSA-N 1 0 314.433 2.370 40 0 DEABRO CC[C@@H](Oc1ccccc1OC)C(=O)NC1CC[NH+](C)CC1 ZINC000113959409 401788551 /nfs/dbraw/zinc/78/85/51/401788551.db2.gz CCBWRAHESHLJJC-CQSZACIVSA-N 1 0 306.406 2.063 40 0 DEABRO C[C@H](O)[C@H](C[NH+]1CCCC1)N(C)C(=O)OCc1ccccc1 ZINC000012650933 401789351 /nfs/dbraw/zinc/78/93/51/401789351.db2.gz CTTIQIOTCUBWFN-HOCLYGCPSA-N 1 0 306.406 2.100 40 0 DEABRO CCc1ccc([C@H]2NC(=[NH2+])Nc3nc(=O)c4ccccc4n32)cc1 ZINC000020192259 401823908 /nfs/dbraw/zinc/82/39/08/401823908.db2.gz OTVOVJAQIFVVLA-HNNXBMFYSA-N 1 0 319.368 2.246 40 0 DEABRO CC[NH+]1CCN([C@@H](C)C(=O)Nc2ccc(F)c(Cl)c2)CC1 ZINC000022585884 401827288 /nfs/dbraw/zinc/82/72/88/401827288.db2.gz GLQDSWPMXLHESX-NSHDSACASA-N 1 0 313.804 2.444 40 0 DEABRO CC(C)(C)OC(=O)N[C@@H]1CCN([C@@H](C[NH3+])c2ccc(F)cc2)C1 ZINC000038541230 401922953 /nfs/dbraw/zinc/92/29/53/401922953.db2.gz BYXVVXTXINETJW-CABCVRRESA-N 1 0 323.412 2.425 40 0 DEABRO COC(=O)c1cccc(NC(=S)NCCC[NH+](C)C)c1C ZINC000044663095 401947179 /nfs/dbraw/zinc/94/71/79/401947179.db2.gz PWSPZWSLXLJVKW-UHFFFAOYSA-N 1 0 309.435 2.020 40 0 DEABRO CO[C@@H]1CCN(C(=O)CC2CC2)[C@@H]2C[N@H+](Cc3ccco3)C[C@@H]21 ZINC000096108611 402059500 /nfs/dbraw/zinc/05/95/00/402059500.db2.gz ATWXXVXOSBFKDA-GVDBMIGSSA-N 1 0 318.417 2.127 40 0 DEABRO O=C(C1CCC1)N1C[C@@H]2C[N@H+](Cc3ccsc3)CCO[C@@H]2C1 ZINC000096108221 402059880 /nfs/dbraw/zinc/05/98/80/402059880.db2.gz BQQPEONHEBWPKZ-JKSUJKDBSA-N 1 0 320.458 2.207 40 0 DEABRO CO[C@H]1CCN(C2CCC2)[C@@H]2C[N@H+](Cc3ccncc3)C[C@@H]21 ZINC000096109489 402059904 /nfs/dbraw/zinc/05/99/04/402059904.db2.gz CQSHAZBSLGEMQT-KSZLIROESA-N 1 0 301.434 2.155 40 0 DEABRO COc1ncccc1CN1CCO[C@H]2[C@@H](OCC3CC3)CC[C@@H]21 ZINC000096042068 402048970 /nfs/dbraw/zinc/04/89/70/402048970.db2.gz PTYWOOZGQHHYTD-YESZJQIVSA-N 1 0 318.417 2.249 40 0 DEABRO c1cncc(N2CCOC[C@@]3(CCC[N@@H+](CC4CC4)C3)C2)c1 ZINC000096049578 402051341 /nfs/dbraw/zinc/05/13/41/402051341.db2.gz XFJYGRCMGSTHQW-GOSISDBHSA-N 1 0 301.434 2.410 40 0 DEABRO CCN1CCN(C)C2(CC[NH+](Cc3ccc(C)s3)CC2)C1=O ZINC000096050042 402051856 /nfs/dbraw/zinc/05/18/56/402051856.db2.gz VLXMVRQNAQKWHQ-UHFFFAOYSA-N 1 0 321.490 2.185 40 0 DEABRO Cc1ccc(C[N@@H+]2C[C@@H](c3nc(C)no3)C[C@H]3OCC[C@H]32)o1 ZINC000096057621 402053656 /nfs/dbraw/zinc/05/36/56/402053656.db2.gz ZRGDORFHUMVKBS-NWANDNLSSA-N 1 0 303.362 2.426 40 0 DEABRO CC(C)Oc1ncnc2c1CC[N@H+](CC1CCOCC1)CC2 ZINC000096058786 402054001 /nfs/dbraw/zinc/05/40/01/402054001.db2.gz VVIOZFDFAZZKMN-UHFFFAOYSA-N 1 0 305.422 2.091 40 0 DEABRO c1ccc(CN2CC[C@H]3[C@@H]2CC[N@H+]3CC2CCOCC2)nc1 ZINC000096063949 402055385 /nfs/dbraw/zinc/05/53/85/402055385.db2.gz YIYNAQRUIVLNCU-ROUUACIJSA-N 1 0 301.434 2.157 40 0 DEABRO CC(C)C[NH+]1C[C@H]2CN(C(=O)CCc3cccnc3)C[C@@H]2C1 ZINC000096080992 402057136 /nfs/dbraw/zinc/05/71/36/402057136.db2.gz FORIBAIIFMTLPR-IRXDYDNUSA-N 1 0 301.434 2.060 40 0 DEABRO CN(C)C(=O)C[C@H]1OC[C@H]2C[N@H+](Cc3ccccc3F)CC[C@@H]12 ZINC000096206990 402069902 /nfs/dbraw/zinc/06/99/02/402069902.db2.gz DZRPRSPWUNNGHV-BFYDXBDKSA-N 1 0 320.408 2.141 40 0 DEABRO COC[C@@H]1C[N@H+](C)C[C@@]12CCN(C(=O)c1ccc(F)c(F)c1)C2 ZINC000096218232 402071157 /nfs/dbraw/zinc/07/11/57/402071157.db2.gz OTXUGHFFAHLNTM-SUMWQHHRSA-N 1 0 324.371 2.005 40 0 DEABRO COC[C@@H]1C[N@H+](C)C[C@@]12CCN(C(=O)c1cccc(Cl)c1)C2 ZINC000096217641 402071321 /nfs/dbraw/zinc/07/13/21/402071321.db2.gz CFDQPRGLQRDINN-WMLDXEAASA-N 1 0 322.836 2.380 40 0 DEABRO COc1cc(C[N@H+]2CC[C@H](OC)[C@H]3OCC[C@@H]32)cc(OC)c1 ZINC000096217940 402071361 /nfs/dbraw/zinc/07/13/61/402071361.db2.gz DDRNZURKBYMYOC-ULQDDVLXSA-N 1 0 307.390 2.082 40 0 DEABRO CC[N@@H+]1C[C@@H](COC)[C@]2(CCN(C(=O)c3occc3C)C2)C1 ZINC000096218427 402071413 /nfs/dbraw/zinc/07/14/13/402071413.db2.gz NJWYSKBTZFLBSJ-WMLDXEAASA-N 1 0 306.406 2.018 40 0 DEABRO CC[N@@H+]1CC[C@]2(CC(C(=O)NC[C@@H](C)c3ccccc3)=NO2)C1 ZINC000096225770 402072721 /nfs/dbraw/zinc/07/27/21/402072721.db2.gz AVDKTJOAGHWAIF-KDOFPFPSSA-N 1 0 315.417 2.147 40 0 DEABRO CC[N@@H+]1CCOC[C@]2(CCCN(C(=O)Cc3ccsc3)C2)C1 ZINC000096228876 402072772 /nfs/dbraw/zinc/07/27/72/402072772.db2.gz UJIQSACLCDOJQH-QGZVFWFLSA-N 1 0 322.474 2.252 40 0 DEABRO CC(C)CN1C(=O)CCC12CC[NH+](Cc1cnn(C)c1)CC2 ZINC000096228031 402072834 /nfs/dbraw/zinc/07/28/34/402072834.db2.gz APCNGGXNBHOCSY-UHFFFAOYSA-N 1 0 304.438 2.033 40 0 DEABRO Cc1noc(C)c1C[N@@H+]1C[C@H]2CN(c3ccsc3)C(=O)[C@H]2C1 ZINC000096245224 402074175 /nfs/dbraw/zinc/07/41/75/402074175.db2.gz IUKJFHVLMODRDO-WFASDCNBSA-N 1 0 317.414 2.448 40 0 DEABRO C[NH+](C)CCNC(=O)c1cnc(-c2noc3ccccc32)s1 ZINC000096266570 402076241 /nfs/dbraw/zinc/07/62/41/402076241.db2.gz XYHCLXHEZHFGQH-UHFFFAOYSA-N 1 0 316.386 2.243 40 0 DEABRO Fc1cccc(CN2C[C@@H]3C[N@@H+](C[C@H]4CCOC4)C[C@@H]3C2)c1 ZINC000096161708 402064371 /nfs/dbraw/zinc/06/43/71/402064371.db2.gz WDBOVLFGDAPXCF-ZACQAIPSSA-N 1 0 304.409 2.226 40 0 DEABRO O=C(c1cnccn1)N1C[C@@H]2C[N@@H+](CC3CCCCC3)C[C@@H]2C1 ZINC000096182338 402064684 /nfs/dbraw/zinc/06/46/84/402064684.db2.gz QRUVBECXEGCGKG-IYBDPMFKSA-N 1 0 314.433 2.061 40 0 DEABRO C[NH+](C)[C@@H]1CCN(Cc2nccs2)[C@H]1Cc1ccncc1 ZINC000096200981 402068239 /nfs/dbraw/zinc/06/82/39/402068239.db2.gz YHUKBAUYUFZFBQ-CABCVRRESA-N 1 0 302.447 2.285 40 0 DEABRO O=C1CO[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2N1c1ccccc1 ZINC000067897042 402178102 /nfs/dbraw/zinc/17/81/02/402178102.db2.gz GXUPCVDWMUWPDX-MSOLQXFVSA-N 1 0 308.381 2.303 40 0 biogenic,in-vitro DEABRO COc1ccc(C[N@H+]2C[C@@H]3[C@H](CC(=O)NC(C)C)[C@@H]3C2)cc1 ZINC000107745876 402239790 /nfs/dbraw/zinc/23/97/90/402239790.db2.gz RCKYZRRYZKRQHG-BJWYYQGGSA-N 1 0 302.418 2.288 40 0 DEABRO CNC(=O)[C@H]1CCC[C@@]12CC[N@H+](Cc1ccc3c(c1)CCO3)C2 ZINC000108534956 402256506 /nfs/dbraw/zinc/25/65/06/402256506.db2.gz ICWKIBFULSGUCC-APWZRJJASA-N 1 0 314.429 2.360 40 0 DEABRO CC(C)NC(=O)[C@@H]1CN(Cc2ccsc2)Cc2ncn(C)c21 ZINC000248050546 402581531 /nfs/dbraw/zinc/58/15/31/402581531.db2.gz QYZFJBFMXZMWJD-CYBMUJFWSA-N 1 0 318.446 2.106 40 0 DEABRO Cc1ccc(C[N@H+]2CC[C@H](c3n[nH]cc3C(=O)N(C)C)C2)s1 ZINC000257219235 402704575 /nfs/dbraw/zinc/70/45/75/402704575.db2.gz DGCOAELQTSPXQH-LBPRGKRZSA-N 1 0 318.446 2.471 40 0 DEABRO Cc1[nH+]cc2cnc([C@@H]3CCCN3C(=O)c3cccnc3)cn12 ZINC000257220070 402704981 /nfs/dbraw/zinc/70/49/81/402704981.db2.gz DJKDXBLRJIHDHT-INIZCTEOSA-N 1 0 307.357 2.410 40 0 DEABRO O=C(CC1(O)CCCCC1)N1CC[NH2+]C[C@H]1c1ccccc1 ZINC000257227184 402705355 /nfs/dbraw/zinc/70/53/55/402705355.db2.gz FOAYOWBRVXRNIR-INIZCTEOSA-N 1 0 302.418 2.245 40 0 DEABRO C[C@@H]1CCCN(C(=O)c2cncc(C3CC[NH+](C)CC3)n2)C1 ZINC000257239793 402707385 /nfs/dbraw/zinc/70/73/85/402707385.db2.gz HQUSIVDIYXRBFJ-CYBMUJFWSA-N 1 0 302.422 2.158 40 0 DEABRO CCNc1nc(NCc2ccccc2)cc(-c2cccnc2)n1 ZINC000329068322 404218873 /nfs/dbraw/zinc/21/88/73/404218873.db2.gz YPJVPDLDVGKNMJ-UHFFFAOYSA-N 1 0 305.385 2.426 40 0 DEABRO O=C(c1ccc2c(c1)OCO2)N1CC[NH2+]C[C@@H]1c1ccccc1 ZINC000313347870 268840767 /nfs/dbraw/zinc/84/07/67/268840767.db2.gz JJGUSMVNRAIXLX-OAHLLOKOSA-N 1 0 310.353 2.202 40 0 DEABRO CC(C)[NH+]1CCC2(CC1)c1cc(C(=O)N(C)C)ccc1NC2=O ZINC000096241433 273529660 /nfs/dbraw/zinc/52/96/60/273529660.db2.gz CTLVQCKCRWSDRC-UHFFFAOYSA-N 1 0 315.417 2.083 40 0 DEABRO COCC[NH+]1CCC2(C[C@@H](CC(N)=O)c3ccc(F)cc32)CC1 ZINC000096100179 274026136 /nfs/dbraw/zinc/02/61/36/274026136.db2.gz ZOQFXLDHDCMENO-CYBMUJFWSA-N 1 0 320.408 2.168 40 0 DEABRO COCC[N@@H+]1CCC[C@](C)(c2ccc3c(C)nn(C)c3n2)C1 ZINC000257276178 274028049 /nfs/dbraw/zinc/02/80/49/274028049.db2.gz NSQLTQGKDRLSAQ-KRWDZBQOSA-N 1 0 302.422 2.277 40 0 DEABRO c1cc(CN2CC[C@@H]3[C@@H]2CC[N@H+]3CC2CCOCC2)ccn1 ZINC000306144284 275064252 /nfs/dbraw/zinc/06/42/52/275064252.db2.gz ZBDVTIFYPZORBF-ZWKOTPCHSA-N 1 0 301.434 2.157 40 0 DEABRO COc1ccc(-c2cnc3n2CCN(C)C32CC[NH2+]CC2)cc1 ZINC000107491977 277396853 /nfs/dbraw/zinc/39/68/53/277396853.db2.gz KSIFJRADFZGHJY-UHFFFAOYSA-N 1 0 312.417 2.083 40 0 DEABRO O=C1CC[C@]2(CCC[N@H+](C[C@@H]3CCOC3)CC2)N1CC1CC1 ZINC000096217929 280261556 /nfs/dbraw/zinc/26/15/56/280261556.db2.gz DTDWLASIRPVACL-WMZOPIPTSA-N 1 0 306.450 2.280 40 0 DEABRO Cc1ccc(CN2Cc3nccn3C[C@H](C[NH+](C)C)C2)s1 ZINC000096059175 280823204 /nfs/dbraw/zinc/82/32/04/280823204.db2.gz RYRYPLFPCIKFSF-CQSZACIVSA-N 1 0 304.463 2.447 40 0 DEABRO Cc1ccc(N2CCC3(CC2)CC[NH+]([C@H]2CCOC2)CC3)nn1 ZINC000096158489 280864854 /nfs/dbraw/zinc/86/48/54/280864854.db2.gz OYSIANMZHIQLKA-INIZCTEOSA-N 1 0 316.449 2.256 40 0 DEABRO O=c1oc2ccccc2n1[C@H]1CCC[N@H+](C[C@H]2CCOC2)C1 ZINC000247797997 341370302 /nfs/dbraw/zinc/37/03/02/341370302.db2.gz DLCHUJATCCOBPN-KGLIPLIRSA-N 1 0 302.374 2.268 40 0 DEABRO CC(C)N(CC1CC[NH+](CCO)CC1)C(=O)OC(C)(C)C ZINC000079408136 185169739 /nfs/dbraw/zinc/16/97/39/185169739.db2.gz SJBZCXLPYQMYTH-UHFFFAOYSA-N 1 0 300.443 2.336 40 0 DEABRO CC[N@H+](CCO)[C@H]1CCCN(C(=O)OCc2ccccc2)C1 ZINC000079391680 185168295 /nfs/dbraw/zinc/16/82/95/185168295.db2.gz PAWFIZGJWGJFSR-INIZCTEOSA-N 1 0 306.406 2.102 40 0 DEABRO COC(=O)[C@@]1(C)C(=O)C[C@H]2CC[C@@H]1[N@H+]2Cc1cccc(OC)c1 ZINC000072340186 191126215 /nfs/dbraw/zinc/12/62/15/191126215.db2.gz YVNQJCOHOOYXGB-QIIPPGSGSA-N 1 0 317.385 2.180 40 0 DEABRO COCC[N@@H+]1CCCC[C@@H]1c1n[nH]cc1-c1ccnc(N)c1 ZINC000072350735 191127660 /nfs/dbraw/zinc/12/76/60/191127660.db2.gz BTJZAOUKWWTMQU-CQSZACIVSA-N 1 0 301.394 2.227 40 0 DEABRO CN(C)c1ncc(CN2CC[C@]3(C)[NH2+]CCCCC[C@H]23)cn1 ZINC000019713412 354045625 /nfs/dbraw/zinc/04/56/25/354045625.db2.gz CXOYCPFCOYNYSV-RDJZCZTQSA-N 1 0 303.454 2.039 40 0 DEABRO O=C(NCC[NH+]1CCCCC1)Nc1c[nH]c2ccccc2c1=O ZINC000004907393 181171316 /nfs/dbraw/zinc/17/13/16/181171316.db2.gz SJJPVTVKZRSNFK-UHFFFAOYSA-N 1 0 314.389 2.136 40 0 DEABRO CC(C)(C)OC(=O)N[C@H]1CCN([C@H](C[NH3+])c2ccc(F)cc2)C1 ZINC000101039026 355708696 /nfs/dbraw/zinc/70/86/96/355708696.db2.gz BYXVVXTXINETJW-LSDHHAIUSA-N 1 0 323.412 2.425 40 0 DEABRO Cc1snnc1C(=O)N1CCC2(CC([NH+]3CCCC3)C2)CC1 ZINC000585101500 357332988 /nfs/dbraw/zinc/33/29/88/357332988.db2.gz APOBSSVUFYIROI-UHFFFAOYSA-N 1 0 320.462 2.327 40 0 DEABRO CCn1cc(C[N@@H+]2CCC[C@]3(CCC(=O)N3CCF)CC2)cn1 ZINC000585100225 357333281 /nfs/dbraw/zinc/33/32/81/357333281.db2.gz ICFKJHSSNUREFK-KRWDZBQOSA-N 1 0 322.428 2.220 40 0 DEABRO CNC(=O)C[C@@]1(COC)CCC[N@@H+]1Cc1c(F)cccc1F ZINC000585276329 357342534 /nfs/dbraw/zinc/34/25/34/357342534.db2.gz GKXHDKAWARQEAJ-MRXNPFEDSA-N 1 0 312.360 2.082 40 0 DEABRO Cc1ccccc1O[C@@H]1CCC[C@H]([NH2+]Cc2nccn2C)[C@H]1O ZINC000585289916 357344809 /nfs/dbraw/zinc/34/48/09/357344809.db2.gz XGLJDFVUUSBQPJ-YXJHDRRASA-N 1 0 315.417 2.179 40 0 DEABRO CN1CCC([NH2+][C@H]2CCC[C@@H](Oc3ccccc3)[C@@H]2O)CC1 ZINC000585289231 357345011 /nfs/dbraw/zinc/34/50/11/357345011.db2.gz OGQIKCXUVNYKFR-RCCFBDPRSA-N 1 0 304.434 2.031 40 0 DEABRO CCc1n(C)c2ccccc2[n+]1C[C@@H](O)COc1ccccc1 ZINC000006135524 181315835 /nfs/dbraw/zinc/31/58/35/181315835.db2.gz QNVPGWZVNOZKPJ-OAHLLOKOSA-N 1 0 311.405 2.468 40 0 DEABRO O=C(NCc1ccco1)[C@H]1CO[C@H]2CC[N@@H+](C3CCC3)C[C@H]2C1 ZINC000096042660 284010064 /nfs/dbraw/zinc/01/00/64/284010064.db2.gz GFMHTEOHOXIDQK-CPUCHLNUSA-N 1 0 318.417 2.175 40 0 DEABRO c1cncc(CO[C@@H]2CSC3(C[NH+](C4CCOCC4)C3)C2)c1 ZINC000253596830 202904184 /nfs/dbraw/zinc/90/41/84/202904184.db2.gz WJHKMXNRWZLGRM-INIZCTEOSA-N 1 0 320.458 2.337 40 0 DEABRO O=c1cc(C[C@@H]2COCC[N@@H+](Cc3ccc(F)cc3)C2)nc[nH]1 ZINC000257275936 203005076 /nfs/dbraw/zinc/00/50/76/203005076.db2.gz 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ZINC000101612506 193827941 /nfs/dbraw/zinc/82/79/41/193827941.db2.gz BLVBTWMDWYRUEH-HUUCEWRRSA-N 1 0 319.812 2.190 40 0 DEABRO CC(C)[NH2+]C[C@H](O)COCCOC12CC3CC(CC(C3)C1)C2 ZINC000041689892 183217690 /nfs/dbraw/zinc/21/76/90/183217690.db2.gz HNUOUFXIWZJQHO-LESVLKBLSA-N 1 0 311.466 2.347 40 0 DEABRO COc1ccc(F)cc1C[NH2+][C@@H]1CCC[C@H](S(C)(=O)=O)C1 ZINC000285102049 218291785 /nfs/dbraw/zinc/29/17/85/218291785.db2.gz KJODBHXJYPUPKG-KGLIPLIRSA-N 1 0 315.410 2.280 40 0 DEABRO Cc1ccc(S(=O)(=O)[C@@H]2[C@H]([NH3+])[C@H]2c2cccc(F)c2)cc1 ZINC000242574946 257120596 /nfs/dbraw/zinc/12/05/96/257120596.db2.gz NLISCQDDKOTVIM-OAGGEKHMSA-N 1 0 305.374 2.401 40 0 DEABRO COc1cccc(NC(=O)c2nc3c(s2)CC[NH2+]CC3)c1 ZINC000306137911 533616966 /nfs/dbraw/zinc/61/69/66/533616966.db2.gz RJXALUAWCQAIKY-UHFFFAOYSA-N 1 0 303.387 2.092 40 0 DEABRO CC(C)[C@@H]1CC[C@H](C)C[C@H]1OC[C@H](O)C[NH+]1CCN(C)CC1 ZINC000019363246 401821994 /nfs/dbraw/zinc/82/19/94/401821994.db2.gz RWRZHMOUEJRKMT-XWTMOSNGSA-N 1 0 312.498 2.072 40 0 DEABRO CCC[NH+]1CCN(C(=O)[C@H](C)n2ccc(C(F)(F)F)n2)CC1 ZINC000027973965 401848900 /nfs/dbraw/zinc/84/89/00/401848900.db2.gz AROVHQABBNPQTM-NSHDSACASA-N 1 0 318.343 2.017 40 0 DEABRO Cc1cccc(N2CCN(C(=O)[C@H]3CCC[N@@H+](C)C3)CC2)c1C ZINC000078578568 401856645 /nfs/dbraw/zinc/85/66/45/401856645.db2.gz MHHBPQDADNRPRZ-KRWDZBQOSA-N 1 0 315.461 2.294 40 0 DEABRO Cc1cccc(NC(=O)[C@@H]2C=C(O)NC(Nc3ccccc3)=[NH+]2)c1 ZINC000014606989 401812904 /nfs/dbraw/zinc/81/29/04/401812904.db2.gz YTPARIXRROLYGZ-HNNXBMFYSA-N 1 0 322.368 2.290 40 0 DEABRO O=C(Cn1cccn1)N[C@H](C[NH+]1CCCCC1)c1ccccc1 ZINC000036752333 401908057 /nfs/dbraw/zinc/90/80/57/401908057.db2.gz WDAMDHWUZOZIDS-QGZVFWFLSA-N 1 0 312.417 2.227 40 0 DEABRO COc1ccc(CN2C[C@H]3C[N@H+](CC(C)C)CCN3C2=O)cc1 ZINC000085436190 401916175 /nfs/dbraw/zinc/91/61/75/401916175.db2.gz QSVCPHXJGRHHOZ-MRXNPFEDSA-N 1 0 317.433 2.273 40 0 biogenic,in-vitro DEABRO CCO[C@@H]1CC[C@H]2[C@H]1OCCN2Cc1ccc2c(c1)OCO2 ZINC000096041439 402048835 /nfs/dbraw/zinc/04/88/35/402048835.db2.gz NSMQGIAJFPWSTI-YSVLISHTSA-N 1 0 305.374 2.184 40 0 DEABRO Cn1cc(N2CC[C@@]3(CCC[N@H+](Cc4ccco4)C3)C2=O)cn1 ZINC000096048777 402050812 /nfs/dbraw/zinc/05/08/12/402050812.db2.gz UXBHKTUFCMRIBR-QGZVFWFLSA-N 1 0 314.389 2.032 40 0 DEABRO O=C(NCC1CC1)[C@@H]1C[N@H+](Cc2ccco2)CC12CCOCC2 ZINC000096052122 402051725 /nfs/dbraw/zinc/05/17/25/402051725.db2.gz PDHQGBBTCBOBJU-INIZCTEOSA-N 1 0 318.417 2.034 40 0 DEABRO O=C(c1cccs1)N1C[C@@H]2C[NH+](Cc3ccccn3)C[C@H]2C1 ZINC000096053829 402052112 /nfs/dbraw/zinc/05/21/12/402052112.db2.gz CAUOMKYEGRQVSW-KBPBESRZSA-N 1 0 313.426 2.347 40 0 DEABRO Cn1cc2c(n1)[C@@H](COCC1CC1)C[N@@H+](CC1CCOCC1)C2 ZINC000096059867 402054077 /nfs/dbraw/zinc/05/40/77/402054077.db2.gz TWLNINWPHVBTAW-QGZVFWFLSA-N 1 0 319.449 2.173 40 0 DEABRO CC[N@@H+]1CCOC[C@]2(CCCN(C(=O)Cc3ccccc3)C2)C1 ZINC000096076503 402057091 /nfs/dbraw/zinc/05/70/91/402057091.db2.gz WCQAJCOMFYBRJB-LJQANCHMSA-N 1 0 316.445 2.190 40 0 DEABRO CC[N@@H+]1CC[C@@]2(c3ccccc3)CCN(C(=O)N(C)C)C[C@H]12 ZINC000096083409 402057522 /nfs/dbraw/zinc/05/75/22/402057522.db2.gz ILBFFHGIWYITEZ-WMZOPIPTSA-N 1 0 301.434 2.406 40 0 DEABRO CN(C)C(=O)N[C@@H]1CCO[C@]2(CC[N@H+](CC3CCCC3)C2)C1 ZINC000096205922 402069113 /nfs/dbraw/zinc/06/91/13/402069113.db2.gz FJINTLMDCQNLPE-NVXWUHKLSA-N 1 0 309.454 2.071 40 0 DEABRO CO[C@@H]1CCN(C2CCC2)[C@@H]2C[N@H+](Cc3ccncc3)C[C@@H]21 ZINC000096208920 402069724 /nfs/dbraw/zinc/06/97/24/402069724.db2.gz CQSHAZBSLGEMQT-RCCFBDPRSA-N 1 0 301.434 2.155 40 0 DEABRO O=C(CC1CC1)NCC[C@@]12CCO[C@@H]1CC[N@H+](CC1CC1)C2 ZINC000096207517 402069865 /nfs/dbraw/zinc/06/98/65/402069865.db2.gz CZIQPYKMNGHXJQ-AEFFLSMTSA-N 1 0 306.450 2.184 40 0 DEABRO CCc1ccc(C(=O)N2CC[C@]3(C2)C[N@H+](C)C[C@H]3COC)cc1 ZINC000096218459 402071277 /nfs/dbraw/zinc/07/12/77/402071277.db2.gz MFTJSWDKIFPHSA-PKOBYXMFSA-N 1 0 316.445 2.289 40 0 DEABRO CN1Cc2ccccc2CC2(CC[NH+]([C@H]3CCOC3)CC2)C1=O ZINC000096161318 402064234 /nfs/dbraw/zinc/06/42/34/402064234.db2.gz HBJGSGGBYWGABK-KRWDZBQOSA-N 1 0 314.429 2.072 40 0 DEABRO Cn1cc(C[N@@H+]2CC[C@]3(C[C@@H](Nc4ccccc4)CO3)C2)cn1 ZINC000107225897 402228119 /nfs/dbraw/zinc/22/81/19/402228119.db2.gz OAOYSQIVQKIEIQ-MSOLQXFVSA-N 1 0 312.417 2.266 40 0 DEABRO CCOC(=O)[C@@H]1C[C@@H]2[C@@H](CCC[C@@H]2O)[N@@H+]1Cc1ccccc1 ZINC000226086350 402326038 /nfs/dbraw/zinc/32/60/38/402326038.db2.gz DMGGGQACHJSSBR-NCOADZHNSA-N 1 0 303.402 2.354 40 0 DEABRO C[NH+](C)CCOC[C@@H]1CC[C@@H]2[C@H]1OCCN2Cc1ccsc1 ZINC000248024679 402580843 /nfs/dbraw/zinc/58/08/43/402580843.db2.gz RZOATZVKNZAFGE-BBWFWOEESA-N 1 0 324.490 2.306 40 0 DEABRO COC[C@@H]1CN(C(=O)c2ccsc2)CC12CC[NH+](C)CC2 ZINC000248108547 402582887 /nfs/dbraw/zinc/58/28/87/402582887.db2.gz GNDVNTMVWTZCFG-AWEZNQCLSA-N 1 0 308.447 2.179 40 0 DEABRO COC[C@H]1CC[N@H+](C)C2(CN(C(=O)Cc3ccc(C)cc3)C2)C1 ZINC000248132794 402583276 /nfs/dbraw/zinc/58/32/76/402583276.db2.gz NSWLQYHDRWCZPP-KRWDZBQOSA-N 1 0 316.445 2.107 40 0 DEABRO C[NH+](C)Cc1ccnc([C@H]2CCCN2Cc2cscn2)n1 ZINC000257210586 402703827 /nfs/dbraw/zinc/70/38/27/402703827.db2.gz BVGKPZPSHDYXSQ-CQSZACIVSA-N 1 0 303.435 2.332 40 0 DEABRO CC1(C)CC2(CN1S(=O)(=O)Cc1ccccc1)CC[NH2+]CC2 ZINC000257269271 402710684 /nfs/dbraw/zinc/71/06/84/402710684.db2.gz MPHCPKBOQNGCFR-UHFFFAOYSA-N 1 0 322.474 2.371 40 0 DEABRO CC(=O)N1CC[N@H+](CC2CCOCC2)C[C@@H]1c1ccccc1 ZINC000257283581 402711325 /nfs/dbraw/zinc/71/13/25/402711325.db2.gz OYXGYULKJJXMFK-GOSISDBHSA-N 1 0 302.418 2.318 40 0 DEABRO CCc1[nH]nc(C(=O)N2C[C@@H]3C[C@@]4(C)[C@H](CCCC[C@@H]24)[NH2+]3)c1C ZINC000257288174 402711568 /nfs/dbraw/zinc/71/15/68/402711568.db2.gz PTEMYNNEZZLBBU-FRQROOTJSA-N 1 0 316.449 2.416 40 0 DEABRO COc1cccnc1NC(=S)NCCC[N@@H+]1CCC[C@H](C)C1 ZINC000260740060 402713288 /nfs/dbraw/zinc/71/32/88/402713288.db2.gz SBMRZNPYYUEMQD-ZDUSSCGKSA-N 1 0 322.478 2.499 40 0 DEABRO C[C@]12CN(Cc3ccccc3)C[C@@H]1NC(=O)c1ccccc1[C@H]2[NH3+] ZINC000253591739 402669887 /nfs/dbraw/zinc/66/98/87/402669887.db2.gz TWXVMGOZCGGXHQ-NSHGMRRFSA-N 1 0 321.424 2.321 40 0 DEABRO COCc1cccc(C[NH2+][C@@H]2CCCC[C@H]2S(C)(=O)=O)c1 ZINC000182456005 402691244 /nfs/dbraw/zinc/69/12/44/402691244.db2.gz OCJMKJNPOYHMDZ-HZPDHXFCSA-N 1 0 311.447 2.278 40 0 DEABRO COCc1cccc(C[NH2+][C@H]2CCCC[C@@H]2S(C)(=O)=O)c1 ZINC000182455984 402691426 /nfs/dbraw/zinc/69/14/26/402691426.db2.gz OCJMKJNPOYHMDZ-HOTGVXAUSA-N 1 0 311.447 2.278 40 0 DEABRO COCC[N@@H+]1CCC[C@H](c2cc(-c3cc[nH]n3)nc(C)n2)C1 ZINC000257201769 402702361 /nfs/dbraw/zinc/70/23/61/402702361.db2.gz AIZNZOLXTGWRQM-ZDUSSCGKSA-N 1 0 301.394 2.001 40 0 DEABRO COc1ccc(CCN2CC[NH2+][C@@H]3CCCC[C@@H]32)cc1OC ZINC000225711997 262484763 /nfs/dbraw/zinc/48/47/63/262484763.db2.gz PCDYWXSLJODRRH-CVEARBPZSA-N 1 0 304.434 2.463 40 0 DEABRO CC(=O)Nc1ccc(OC[C@@H](O)C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000006455102 277080168 /nfs/dbraw/zinc/08/01/68/277080168.db2.gz GESMYNQNRCGSED-CJNGLKHVSA-N 1 0 306.406 2.117 40 0 DEABRO COc1cc([C@H]2C[NH2+]Cc3cc(OC)c(O)cc32)ccc1O ZINC000001719191 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Cc1ccc(C[NH+]2C[C@H]3CN(C(=O)c4ccncc4)C[C@@H]3C2)o1 ZINC000096245563 402073960 /nfs/dbraw/zinc/07/39/60/402073960.db2.gz HMANMJYMTFODIK-HOTGVXAUSA-N 1 0 311.385 2.187 40 0 DEABRO c1ccn(C[C@@H]2CC[C@H]3[C@@H]2OCC[N@@H+]3CC2CCOCC2)c1 ZINC000096250196 402074593 /nfs/dbraw/zinc/07/45/93/402074593.db2.gz OIKWPODUUSYQHE-OKZBNKHCSA-N 1 0 304.434 2.394 40 0 DEABRO C[NH+](C)CCOCc1ncn2c1CN(Cc1cccs1)CC2 ZINC000096260171 402075508 /nfs/dbraw/zinc/07/55/08/402075508.db2.gz CXPYWJOWWOZRLD-UHFFFAOYSA-N 1 0 320.462 2.039 40 0 DEABRO O=C(C[C@H]1OC[C@H]2C[N@H+](Cc3ccsc3)CC[C@@H]12)NC1CC1 ZINC000096206050 402068647 /nfs/dbraw/zinc/06/86/47/402068647.db2.gz VWPRVUCMBKGICY-FVQBIDKESA-N 1 0 320.458 2.254 40 0 DEABRO c1coc(CN2CCO[C@H]3[C@@H](Oc4ccccn4)CC[C@@H]32)c1 ZINC000097953759 402133882 /nfs/dbraw/zinc/13/38/82/402133882.db2.gz WDSYEINIICHFND-YQQAZPJKSA-N 1 0 300.358 2.485 40 0 DEABRO COCCN1CCO[C@H]2CC[N@H+](Cc3cccc(F)c3C)C[C@@H]21 ZINC000108526720 402255410 /nfs/dbraw/zinc/25/54/10/402255410.db2.gz HLFTXMIOZSFDQA-ROUUACIJSA-N 1 0 322.424 2.056 40 0 DEABRO CCCOC(=O)c1cc(NC)ccc1N1CC[NH+](CC)CC1 ZINC000226277849 402326507 /nfs/dbraw/zinc/32/65/07/402326507.db2.gz QYAFVXOUCGBYSL-UHFFFAOYSA-N 1 0 305.422 2.437 40 0 DEABRO COc1ccc(CCN2CC[NH2+][C@@H]3CCCC[C@H]32)cc1OC ZINC000218829461 402296661 /nfs/dbraw/zinc/29/66/61/402296661.db2.gz PCDYWXSLJODRRH-HZPDHXFCSA-N 1 0 304.434 2.463 40 0 DEABRO C[C@@H](C[NH2+][C@H]1CCCN(C(=O)OC(C)(C)C)CC1)[S@](C)=O ZINC000167472323 402492061 /nfs/dbraw/zinc/49/20/61/402492061.db2.gz BHHOWADKIVUGPW-OYMPBJRDSA-N 1 0 318.483 2.133 40 0 DEABRO Cc1ccc(CC(=O)N2CC3(C2)CC[C@H](C[NH+](C)C)CO3)cc1 ZINC000248115866 402582718 /nfs/dbraw/zinc/58/27/18/402582718.db2.gz LIKDZPIPYNMGHD-QGZVFWFLSA-N 1 0 316.445 2.107 40 0 DEABRO COc1cc(OC)c([C@@H]2CC[N@H+](C)C[C@@H]2OC(C)=O)c(OC)c1 ZINC000100458160 286240435 /nfs/dbraw/zinc/24/04/35/286240435.db2.gz AHNPFVYJZRFONV-CJNGLKHVSA-N 1 0 323.389 2.063 40 0 DEABRO O=C(CC1(O)CCCCC1)N1CC[NH2+]C[C@@H]1c1ccccc1 ZINC000257227185 402705841 /nfs/dbraw/zinc/70/58/41/402705841.db2.gz FOAYOWBRVXRNIR-MRXNPFEDSA-N 1 0 302.418 2.245 40 0 DEABRO Cc1c[nH]c([C@H]2CCCN(C(=O)C[NH+]3CCCCCC3)C2)n1 ZINC000257238112 402706706 /nfs/dbraw/zinc/70/67/06/402706706.db2.gz HJQBSXZYDKVZQS-HNNXBMFYSA-N 1 0 304.438 2.300 40 0 DEABRO Cc1c[nH]c([C@@H]2CC[N@H+](Cc3cnn4c3nc(C)cc4C)C2)n1 ZINC000257253824 402708675 /nfs/dbraw/zinc/70/86/75/402708675.db2.gz KAKANTGVCFMQIB-CQSZACIVSA-N 1 0 310.405 2.367 40 0 DEABRO CNc1nccnc1C[C@@H]1CCC[N@H+](Cc2cnc(C)nc2)C1 ZINC000257282894 402711354 /nfs/dbraw/zinc/71/13/54/402711354.db2.gz OVTJZTGSTIPMCR-AWEZNQCLSA-N 1 0 312.421 2.071 40 0 DEABRO COc1ccc(NC(=S)NCCC[N@@H+]2CCC[C@H](C)C2)cn1 ZINC000260733097 402713209 /nfs/dbraw/zinc/71/32/09/402713209.db2.gz FFGYNOJTBXJHJU-ZDUSSCGKSA-N 1 0 322.478 2.499 40 0 DEABRO Cc1cnccc1NC(=O)NCC1([NH3+])C2CC3CC(C2)CC1C3 ZINC000333094040 268884203 /nfs/dbraw/zinc/88/42/03/268884203.db2.gz BKUOCSKDOFKWJX-UHFFFAOYSA-N 1 0 314.433 2.087 40 0 DEABRO c1cncc(-c2ncc3c(n2)[C@]2(CC[N@@H+](CC4CC4)C2)COC3)c1 ZINC000096080375 275073770 /nfs/dbraw/zinc/07/37/70/275073770.db2.gz LRSVXDPUHTYNER-IBGZPJMESA-N 1 0 322.412 2.422 40 0 DEABRO CC(C)(C)OC(=O)N[C@@H]1CCN([C@@H](C[NH3+])c2ccccc2)C1 ZINC000038536663 277202885 /nfs/dbraw/zinc/20/28/85/277202885.db2.gz HFBDLIGBWDZLIQ-CABCVRRESA-N 1 0 305.422 2.285 40 0 DEABRO CC(C)N(C(=O)C[NH3+])[C@H]1CCCC[C@H]1NC(=O)OC(C)(C)C ZINC000079391133 279274681 /nfs/dbraw/zinc/27/46/81/279274681.db2.gz XCNCNHFCRIYMRE-OLZOCXBDSA-N 1 0 313.442 2.018 40 0 DEABRO CC(C)N(C(=O)C[NH3+])[C@H]1CC[C@H](NC(=O)OC(C)(C)C)CC1 ZINC000242592208 279274870 /nfs/dbraw/zinc/27/48/70/279274870.db2.gz OMKVBVRLIJKGES-JOCQHMNTSA-N 1 0 313.442 2.018 40 0 DEABRO CC[NH+](CC)C[C@H]1CN(Cc2cccc(C)n2)Cc2cncn21 ZINC000306128097 528185555 /nfs/dbraw/zinc/18/55/55/528185555.db2.gz GPZCSECGYGIHLC-SFHVURJKSA-N 1 0 313.449 2.485 40 0 DEABRO CC(C)[N@H+](CCO)C1CCN(C(=O)OCc2ccccc2)CC1 ZINC000079391716 185168318 /nfs/dbraw/zinc/16/83/18/185168318.db2.gz DBABLFRCGQMVOM-UHFFFAOYSA-N 1 0 320.433 2.490 40 0 DEABRO CC(C)[C@H]([NH3+])C(=O)N(C1CC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000079404751 185169660 /nfs/dbraw/zinc/16/96/60/185169660.db2.gz JLTDWUFLFLULCP-ROUUACIJSA-N 1 0 315.461 2.235 40 0 DEABRO c1cn(-c2cncc([C@@H]3CCC[N@@H+](Cc4cccnc4)C3)n2)cn1 ZINC000072355432 191128488 /nfs/dbraw/zinc/12/84/88/191128488.db2.gz ZRMXNPZJYLUMRQ-MRXNPFEDSA-N 1 0 320.400 2.437 40 0 DEABRO CC(C)[N@@H+]1CCC[C@@H](c2cccc(C(=O)N3CCOCC3)n2)C1 ZINC000072358301 191130491 /nfs/dbraw/zinc/13/04/91/191130491.db2.gz TZMAWPYSTPWTOF-OAHLLOKOSA-N 1 0 317.433 2.142 40 0 DEABRO CC(C)[NH+]1CCC(c2cncc(N3CCC[C@@H]3CO)n2)CC1 ZINC000072365231 191134660 /nfs/dbraw/zinc/13/46/60/191134660.db2.gz NLWORANIQSAUCQ-OAHLLOKOSA-N 1 0 304.438 2.026 40 0 DEABRO CC(C)(CO)[NH2+]C[C@H](O)COc1ccc(Cl)cc1Cl ZINC000002679982 180946827 /nfs/dbraw/zinc/94/68/27/180946827.db2.gz XRNMNYDCVWQBLE-JTQLQIEISA-N 1 0 308.205 2.094 40 0 DEABRO COc1cc(-c2noc([C@H]3CCC[NH2+]C3)n2)cc(OC)c1OC ZINC000072265103 354898975 /nfs/dbraw/zinc/89/89/75/354898975.db2.gz RICQIGWFQKPCIV-JTQLQIEISA-N 1 0 319.361 2.229 40 0 DEABRO C[N@@H+]1CC[C@@H](OC(=O)[C@@](O)(c2ccccc2)C2CCCC2)C1 ZINC000005065158 283060614 /nfs/dbraw/zinc/06/06/14/283060614.db2.gz OVGMKPGXRHJNKJ-SJLPKXTDSA-N 1 0 303.402 2.312 40 0 in-vitro DEABRO O=C(c1ccc2[nH]cnc2c1)N1CC[NH2+]C[C@H]1c1ccccc1 ZINC000313345670 356413533 /nfs/dbraw/zinc/41/35/33/356413533.db2.gz GYXWEQJLLXIHCK-KRWDZBQOSA-N 1 0 306.369 2.350 40 0 DEABRO CCC(CC)C[N@@H+]1CCC[C@]2(CN(c3ncccn3)C2=O)C1 ZINC000585099433 357332717 /nfs/dbraw/zinc/33/27/17/357332717.db2.gz JANPQJYKCVZZII-QGZVFWFLSA-N 1 0 302.422 2.342 40 0 DEABRO COc1ccc(OC)c(C(=O)N2CCC[C@@]3(CC[N@@H+]3C)C2)c1 ZINC000585101729 357332862 /nfs/dbraw/zinc/33/28/62/357332862.db2.gz BTNOAGOZOBXHLJ-QGZVFWFLSA-N 1 0 304.390 2.014 40 0 DEABRO C[N@@H+]1CC[C@@]12CCCN(C(=O)c1ccnc(C(F)(F)F)c1)C2 ZINC000585102064 357333031 /nfs/dbraw/zinc/33/30/31/357333031.db2.gz PSJQKQBOQHNPNS-CQSZACIVSA-N 1 0 313.323 2.411 40 0 DEABRO CC(C)CN1C[C@]2(CC1=O)COCC[N@H+](Cc1ccccc1)C2 ZINC000585104683 357334335 /nfs/dbraw/zinc/33/43/35/357334335.db2.gz QXFFOKDAXCMJAO-LJQANCHMSA-N 1 0 316.445 2.394 40 0 DEABRO COC[C@H]1CC2(C[N@@H+]1C)CCN(C(=O)c1csc(C)n1)CC2 ZINC000585103533 357334440 /nfs/dbraw/zinc/33/44/40/357334440.db2.gz JCABMFBMTKPCHW-CYBMUJFWSA-N 1 0 323.462 2.024 40 0 DEABRO Clc1ccc2ncc(-c3cccc([C@H]4C[NH2+]CCO4)n3)n2n1 ZINC000585262855 357340100 /nfs/dbraw/zinc/34/01/00/357340100.db2.gz MFFIOXYKTHVTKY-CYBMUJFWSA-N 1 0 315.764 2.106 40 0 DEABRO CCCCc1ccc(NC(=O)C(=O)NCCC[NH+](C)C)cc1 ZINC000006652829 181365922 /nfs/dbraw/zinc/36/59/22/181365922.db2.gz PODLOYMPRQQECD-UHFFFAOYSA-N 1 0 305.422 2.036 40 0 DEABRO COc1ccc([C@H]2C[NH2+]CCN2C(=O)Cc2cccs2)cc1 ZINC000257296662 203020490 /nfs/dbraw/zinc/02/04/90/203020490.db2.gz RDTSTVXEVFMUFR-MRXNPFEDSA-N 1 0 316.426 2.472 40 0 DEABRO C[C@]1(O)C[N@H+](CC2CCOCC2)CC[C@@H]1Oc1cccc(F)c1 ZINC000257315127 203039221 /nfs/dbraw/zinc/03/92/21/203039221.db2.gz UZZWOUHWHLMTTG-ROUUACIJSA-N 1 0 323.408 2.456 40 0 DEABRO Cc1cn(C)c([C@@H]2CC[N@H+](Cc3ccc4c(c3)OCCO4)C2)n1 ZINC000257322427 203046845 /nfs/dbraw/zinc/04/68/45/203046845.db2.gz WFXXKPGNVJNOLU-OAHLLOKOSA-N 1 0 313.401 2.489 40 0 DEABRO O=C(C1CCCC1)N1CCC[C@H](c2ncc3c(n2)CC[NH2+]C3)C1 ZINC000019292292 182113369 /nfs/dbraw/zinc/11/33/69/182113369.db2.gz TYAZJLJCGWAFIH-AWEZNQCLSA-N 1 0 314.433 2.019 40 0 DEABRO CC(C)CC(=O)N1CCC[C@@H]1c1ncc2c(n1)CC[N@@H+](C)C2 ZINC000019446423 182123503 /nfs/dbraw/zinc/12/35/03/182123503.db2.gz HOXWJZLEVNDNBZ-OAHLLOKOSA-N 1 0 302.422 2.174 40 0 DEABRO COCCCNC(=O)C1CC[NH+](Cc2ccccc2C)CC1 ZINC000039741726 183021972 /nfs/dbraw/zinc/02/19/72/183021972.db2.gz QXKRSTMDVYKRSF-UHFFFAOYSA-N 1 0 304.434 2.360 40 0 DEABRO CC(C)[C@@H](C[N@@H+]1CC[C@H](O)C1)NC(=O)OCc1ccccc1 ZINC000044138441 183396746 /nfs/dbraw/zinc/39/67/46/183396746.db2.gz QOZXKKJNTPWTSH-JKSUJKDBSA-N 1 0 306.406 2.004 40 0 DEABRO C[NH+]1CCN(CCc2ccc3c(Cl)ccc(O)c3n2)CC1 ZINC000059474705 184138916 /nfs/dbraw/zinc/13/89/16/184138916.db2.gz JMDUENHUBUTXQN-UHFFFAOYSA-N 1 0 305.809 2.384 40 0 DEABRO CN(CC[NH3+])[C@@H]1CCCC[C@H]1NC(=O)OCc1ccccc1 ZINC000252517593 256612456 /nfs/dbraw/zinc/61/24/56/256612456.db2.gz MEDSNDTYPPVGSY-HZPDHXFCSA-N 1 0 305.422 2.115 40 0 DEABRO Cc1cc(CNC(=O)OC(C)(C)C)cnc1N1CC[NH+](C)CC1 ZINC000072222556 257124511 /nfs/dbraw/zinc/12/45/11/257124511.db2.gz RRAGVEDNZYZHTO-UHFFFAOYSA-N 1 0 320.437 2.167 40 0 DEABRO CC(=O)N1CCCC[C@H]1c1cnc(N2CCOCC2)cc1C ZINC000072219434 257124520 /nfs/dbraw/zinc/12/45/20/257124520.db2.gz CGHKZXHMKMKTCU-INIZCTEOSA-N 1 0 303.406 2.300 40 0 DEABRO Cc1occc1C(=O)N1C[C@@H]2C[NH+](Cc3ccccn3)C[C@H]2C1 ZINC000096110644 257134542 /nfs/dbraw/zinc/13/45/42/257134542.db2.gz AFZOOEWTNSMXHW-GJZGRUSLSA-N 1 0 311.385 2.187 40 0 DEABRO COc1cccc(-c2ccc3c(c2)O[C@H]2C[NH2+]C[C@H]2N(C)C3=O)c1 ZINC000514289984 257216273 /nfs/dbraw/zinc/21/62/73/257216273.db2.gz QIAXCNYEGFRVLE-AEFFLSMTSA-N 1 0 324.380 2.167 40 0 biogenic,in-vitro DEABRO COc1ccc(OCCN(C)C(=O)[C@H]2[NH2+]CCCC2(C)C)cc1 ZINC000261931192 145243310 /nfs/dbraw/zinc/24/33/10/145243310.db2.gz SUUSEGZUBHHVQJ-MRXNPFEDSA-N 1 0 320.433 2.311 40 0 DEABRO COc1ccc(C(=O)c2ccc(N3CC[NH2+]CC3)cc2)cc1F ZINC000004245559 401726141 /nfs/dbraw/zinc/72/61/41/401726141.db2.gz MVFQTSOREFFANP-UHFFFAOYSA-N 1 0 314.360 2.475 40 0 DEABRO C[C@H]1CCc2c(nc3ncnn3c2NCC[C@@H]2CCC[N@@H+]2C)C1 ZINC000004516986 401726737 /nfs/dbraw/zinc/72/67/37/401726737.db2.gz GQPWCKVLROAUMJ-STQMWFEESA-N 1 0 314.437 2.145 40 0 DEABRO CN(C)C(=O)c1c[nH]nc1[C@@H]1CCC[N@@H+]1CCc1ccccc1 ZINC000072351369 401709571 /nfs/dbraw/zinc/70/95/71/401709571.db2.gz TZSXHFAPSLHDPO-INIZCTEOSA-N 1 0 312.417 2.491 40 0 DEABRO COc1ccc(C2CC[NH+](CC(=O)N3CCCC3)CC2)cc1 ZINC000012113917 401779285 /nfs/dbraw/zinc/77/92/85/401779285.db2.gz CFQCAHOTOAMCSN-UHFFFAOYSA-N 1 0 302.418 2.497 40 0 DEABRO CC[NH+](CC)CCCNC(=O)c1cc(C)nc2c1c(C)nn2C ZINC000027985200 401849177 /nfs/dbraw/zinc/84/91/77/401849177.db2.gz UQJDXAXGBJNTAP-UHFFFAOYSA-N 1 0 317.437 2.047 40 0 DEABRO O=C(C[NH2+]Cc1ccc2c(c1)OCO2)Nc1ccccc1F ZINC000035311387 401898558 /nfs/dbraw/zinc/89/85/58/401898558.db2.gz ZCDNTEXQYHRUOC-UHFFFAOYSA-N 1 0 302.305 2.283 40 0 DEABRO CO[C@H]1CCN(Cc2scnc2C)[C@@H]2C[N@H+](CC3CC3)C[C@@H]21 ZINC000096109450 402059559 /nfs/dbraw/zinc/05/95/59/402059559.db2.gz HIAOEGZBRJLFCP-XHSDSOJGSA-N 1 0 321.490 2.383 40 0 DEABRO COc1ccc2c(c1)nc1n2[C@@H](C[NH2+]Cc2cccnc2)COC1 ZINC000096112678 402060217 /nfs/dbraw/zinc/06/02/17/402060217.db2.gz FZCVURZPXAHBGW-AWEZNQCLSA-N 1 0 324.384 2.301 40 0 biogenic,in-vitro DEABRO c1ccc(O[C@@H]2CC[C@H]3[C@H]2OCCN3Cc2cccnc2)nc1 ZINC000096041863 402048962 /nfs/dbraw/zinc/04/89/62/402048962.db2.gz HFVCTYSAKDHUFN-LZLYRXPVSA-N 1 0 311.385 2.287 40 0 DEABRO O=C([C@H]1C[C@@H]2CC[N@H+](Cc3ccsc3)C[C@@H]2O1)N1CCCC1 ZINC000096043184 402049516 /nfs/dbraw/zinc/04/95/16/402049516.db2.gz FHKDWHABYHMNPB-XHSDSOJGSA-N 1 0 320.458 2.350 40 0 DEABRO Cc1ccc(C[N@H+]2CC[C@H]3C[C@H](C(=O)N(C)C)O[C@@H]3C2)cc1 ZINC000096042696 402049753 /nfs/dbraw/zinc/04/97/53/402049753.db2.gz OPYWWESFLLSLCI-GVDBMIGSSA-N 1 0 302.418 2.063 40 0 DEABRO CN(C)C(=O)N1CCC2(C[C@@H]([N@H+](C)Cc3ccco3)CO2)CC1 ZINC000096048039 402050924 /nfs/dbraw/zinc/05/09/24/402050924.db2.gz IPIZOWZQBGSIKF-CQSZACIVSA-N 1 0 321.421 2.017 40 0 DEABRO Cn1cc(N2CC[C@]3(CC[N@H+](Cc4ccsc4)C3)C2=O)cn1 ZINC000096050513 402051536 /nfs/dbraw/zinc/05/15/36/402051536.db2.gz FBEUYKHDSYCAIV-INIZCTEOSA-N 1 0 316.430 2.111 40 0 DEABRO c1ccc(CO[C@@H]2C[N@@H+](C3CCOCC3)[C@@H]3CCCO[C@H]23)nc1 ZINC000096065959 402055306 /nfs/dbraw/zinc/05/53/06/402055306.db2.gz LZWDMNWNTBKGBM-KURKYZTESA-N 1 0 318.417 2.009 40 0 DEABRO c1ccc(CO[C@@H]2CC[C@H]3[C@H]2OCC[N@@H+]3C2CCOCC2)nc1 ZINC000096065838 402055609 /nfs/dbraw/zinc/05/56/09/402055609.db2.gz PLJLRCXBEIUMFG-RCCFBDPRSA-N 1 0 318.417 2.009 40 0 DEABRO Cc1noc([C@H]2C[C@H]3C[N@H+](Cc4c(C)noc4C)CC[C@@H]3O2)n1 ZINC000096070537 402056444 /nfs/dbraw/zinc/05/64/44/402056444.db2.gz PWHXSKXDCQXAFG-AEGPPILISA-N 1 0 318.377 2.335 40 0 DEABRO O=S(=O)(c1ccccc1)N1C[C@@H]2C[N@H+](CC3CCCC3)[C@@H]2C1 ZINC000096080467 402056966 /nfs/dbraw/zinc/05/69/66/402056966.db2.gz IDKGSBSNWBEEJM-DOTOQJQBSA-N 1 0 320.458 2.182 40 0 DEABRO C[N@H+](C1CC1)[C@H]1COC2(C1)CCN(Cc1nccs1)CC2 ZINC000096074184 402057043 /nfs/dbraw/zinc/05/70/43/402057043.db2.gz ONZONXGNXVNSSS-CQSZACIVSA-N 1 0 307.463 2.361 40 0 DEABRO CCOCC(=O)N1CCC2(CCC[N@@H+]2Cc2cccnc2)CC1 ZINC000096075371 402057181 /nfs/dbraw/zinc/05/71/81/402057181.db2.gz AMCBFQAYXVWQAL-UHFFFAOYSA-N 1 0 317.433 2.075 40 0 DEABRO Cc1cccc(C[N@@H+]2C[C@H]3CCN(c4cnccn4)C[C@H]3C2)n1 ZINC000096081510 402057770 /nfs/dbraw/zinc/05/77/70/402057770.db2.gz JVDSWLVXZCEQAM-HZPDHXFCSA-N 1 0 309.417 2.138 40 0 DEABRO COC[C@@H]1CCC2(CCN(c3ncccn3)CC2)[N@@H+]1CC1CC1 ZINC000096208213 402069435 /nfs/dbraw/zinc/06/94/35/402069435.db2.gz QXRCFYGJCYOCCF-INIZCTEOSA-N 1 0 316.449 2.336 40 0 DEABRO CCOC[C@H]1CCC2(CCN(c3ncc(F)cn3)CC2)[N@@H+]1C ZINC000096207131 402069761 /nfs/dbraw/zinc/06/97/61/402069761.db2.gz XULDVWCFZIINSW-CQSZACIVSA-N 1 0 308.401 2.085 40 0 DEABRO c1cnc(N2CCC[C@]3(CC[N@@H+](Cc4ccncc4)C3)C2)nc1 ZINC000096216857 402070188 /nfs/dbraw/zinc/07/01/88/402070188.db2.gz JCUBFRWWRNAFPE-GOSISDBHSA-N 1 0 309.417 2.364 40 0 DEABRO C[NH+](C)C[C@@H]1CO[C@@]2(C1)CCCN(C(=O)Cc1ccccc1)C2 ZINC000096228337 402072620 /nfs/dbraw/zinc/07/26/20/402072620.db2.gz PSICWPXMWHJSOJ-IEBWSBKVSA-N 1 0 316.445 2.188 40 0 DEABRO O=C1C[C@]2(CC[N@H+](Cc3cccnc3)C2)CN1c1cccnc1 ZINC000096239107 402073276 /nfs/dbraw/zinc/07/32/76/402073276.db2.gz PDRCLAAZDHWYTL-SFHVURJKSA-N 1 0 308.385 2.106 40 0 DEABRO CC(C)CN1CCNC(=O)C12CC[NH+](Cc1ccccc1)CC2 ZINC000096230172 402073482 /nfs/dbraw/zinc/07/34/82/402073482.db2.gz QDLZODGTKHEAIA-UHFFFAOYSA-N 1 0 315.461 2.109 40 0 DEABRO O=C1C[C@@]2(CC[N@H+](Cc3ccccn3)C2)CN1c1ccccn1 ZINC000096239142 402073510 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O=C(NCCc1ccc(C2CCCCC2)cc1)[C@@H]1C[NH2+]CCO1 ZINC000662620531 425695049 /nfs/dbraw/zinc/69/50/49/425695049.db2.gz LYYSXIYGPLBEEQ-SFHVURJKSA-N 1 0 316.445 2.381 40 0 DEABRO COCCN1c2ccccc2C2(CC[NH+](CC3CC3)CC2)C1=O ZINC000105524848 274035988 /nfs/dbraw/zinc/03/59/88/274035988.db2.gz MQRGJPMYPQTGEV-UHFFFAOYSA-N 1 0 314.429 2.423 40 0 DEABRO COc1ccccc1C[NH2+]C[C@H]1COCc2nc3cccnc3n21 ZINC000096112791 274157925 /nfs/dbraw/zinc/15/79/25/274157925.db2.gz WQQCXCTZNPSSTG-AWEZNQCLSA-N 1 0 324.384 2.301 40 0 biogenic,in-vitro DEABRO O=c1[nH]c(-c2cccnc2)nc2c1C[N@H+](C[C@H]1CCC=CO1)CC2 ZINC000072339857 275061876 /nfs/dbraw/zinc/06/18/76/275061876.db2.gz LULAFANZNNECHK-CQSZACIVSA-N 1 0 324.384 2.295 40 0 DEABRO COc1ccc([C@H]2[C@@H]([NH3+])[C@H](c3ccccc3)Nc3ncnn32)cc1 ZINC000074941318 277430649 /nfs/dbraw/zinc/43/06/49/277430649.db2.gz QAKWCDKFQTULHZ-ULQDDVLXSA-N 1 0 321.384 2.370 40 0 DEABRO CCC1C[N@@H+]2CCC1CC2CNS(=O)(=O)c1ccccc1 ZINC000008300459 560108001 /nfs/dbraw/zinc/10/80/01/560108001.db2.gz BDNLNXWPQPJIRK-SOUVJXGZSA-N 1 0 308.447 2.085 40 0 biogenic,in-vitro DEABRO CC(C)N(CC[NH3+])Cc1ccccc1I ZINC000079420705 185171000 /nfs/dbraw/zinc/17/10/00/185171000.db2.gz AWKTUJVBJYLPHD-UHFFFAOYSA-N 1 0 318.202 2.460 40 0 DEABRO C[N@H+](CCO)[C@H]1CCCC[C@@H]1NC(=O)OCc1ccccc1 ZINC000079391663 185168573 /nfs/dbraw/zinc/16/85/73/185168573.db2.gz ZSHOWMOZMRPPRU-HOTGVXAUSA-N 1 0 306.406 2.148 40 0 DEABRO Cc1nc2c(c(=O)[nH]1)C[N@H+](Cc1cccc3cccnc31)CC2 ZINC000072347453 191127340 /nfs/dbraw/zinc/12/73/40/191127340.db2.gz CXVOPWZCZMVXFM-UHFFFAOYSA-N 1 0 306.369 2.185 40 0 DEABRO O=C(NCCO)c1sc2ccccc2c1C[C@H]1CCCC[NH2+]1 ZINC000072352973 191128926 /nfs/dbraw/zinc/12/89/26/191128926.db2.gz JTYGNQCFAOXTME-GFCCVEGCSA-N 1 0 318.442 2.308 40 0 DEABRO COC[C@H]1CN(C(C)=O)CC[N@H+](CCCc2ccccc2)C1 ZINC000072354485 191129466 /nfs/dbraw/zinc/12/94/66/191129466.db2.gz PXBOEUCGURZMJC-GOSISDBHSA-N 1 0 304.434 2.046 40 0 DEABRO Cc1nc([C@@H]2CCC[N@H+](CCc3ccccc3)C2)ncc1C(N)=O ZINC000072351990 191128743 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ZINC000107195529 283868115 /nfs/dbraw/zinc/86/81/15/283868115.db2.gz IBVFJRRUXHYJPL-HNNXBMFYSA-N 1 0 314.429 2.044 40 0 DEABRO COc1ccc2cc(S(=O)(=O)NCCC[NH+](C)C)ccc2c1 ZINC000223168359 201636103 /nfs/dbraw/zinc/63/61/03/201636103.db2.gz OWAJTKATFSHLBF-UHFFFAOYSA-N 1 0 322.430 2.078 40 0 DEABRO Cc1nc([C@H]2CC[NH2+]C2)nc2c1CC(=O)N2CC1CCCCC1 ZINC000257276307 203003147 /nfs/dbraw/zinc/00/31/47/203003147.db2.gz NTDPIPKNGPSMEX-AWEZNQCLSA-N 1 0 314.433 2.331 40 0 DEABRO COCC[N@@H+]1CCC[C@H](c2cc(-c3cc(C)[nH]n3)nc(C)n2)C1 ZINC000257305907 203030756 /nfs/dbraw/zinc/03/07/56/203030756.db2.gz SSAUGYCWUYFIOF-AWEZNQCLSA-N 1 0 315.421 2.309 40 0 DEABRO CC(C)c1noc(CCC(=O)N2CCCC[C@H]3C[NH2+]CC[C@H]32)n1 ZINC000257308520 203031853 /nfs/dbraw/zinc/03/18/53/203031853.db2.gz TXAKLQQMXWCZGD-UONOGXRCSA-N 1 0 320.437 2.116 40 0 DEABRO CNc1cc(C)[nH+]c([C@@H]2CCN(C(=O)c3cn(C)nc3C)C2)c1 ZINC000257334380 203055858 /nfs/dbraw/zinc/05/58/58/203055858.db2.gz YFQTXEOVGOCNJC-CYBMUJFWSA-N 1 0 313.405 2.103 40 0 DEABRO CCN(C(=O)[C@H](C)[NH3+])[C@H]1CCCC[C@@H]1NC(=O)OC(C)(C)C ZINC000079391271 284227309 /nfs/dbraw/zinc/22/73/09/284227309.db2.gz DOVPZTAIJAVTKW-AVGNSLFASA-N 1 0 313.442 2.018 40 0 DEABRO CCN(C(=O)[C@H](C)[NH3+])[C@H]1CC[C@H](NC(=O)OC(C)(C)C)CC1 ZINC000100178032 284227728 /nfs/dbraw/zinc/22/77/28/284227728.db2.gz YZKQBYNYTQCHEH-RWMBFGLXSA-N 1 0 313.442 2.018 40 0 DEABRO CC[C@H](C)NC(=O)Cn1cccc2cc([C@@H]3CCC[NH2+]C3)nc1-2 ZINC000012241871 181743398 /nfs/dbraw/zinc/74/33/98/181743398.db2.gz VXABRGGIUDEMJK-DZGCQCFKSA-N 1 0 314.433 2.370 40 0 DEABRO Cc1cnc(-c2nnc([C@H]3CC[N@H+](Cc4ccncc4)C3)o2)cn1 ZINC000019239198 182111192 /nfs/dbraw/zinc/11/11/92/182111192.db2.gz XLBNGUHBYZDEDS-AWEZNQCLSA-N 1 0 322.372 2.220 40 0 DEABRO COc1ccc(F)c(C[N@@H+]2CC[C@@H](c3cc(=O)[nH]c(C)n3)C2)c1 ZINC000019285206 182111936 /nfs/dbraw/zinc/11/19/36/182111936.db2.gz PLESPRQIFGMIIP-GFCCVEGCSA-N 1 0 317.364 2.216 40 0 DEABRO Cn1nc(C2CC[NH+](Cc3ccccn3)CC2)c2nccnc21 ZINC000019289453 182112391 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CC(C)C[N@@H+]1C[C@@H]2CN(Cc3cccnc3)CCN2C(C)(C)C1 ZINC000514288858 257216268 /nfs/dbraw/zinc/21/62/68/257216268.db2.gz GCEPPMGQVFMMPI-SFHVURJKSA-N 1 0 316.493 2.318 40 0 biogenic,in-vitro DEABRO CNC(=O)[C@@H](CC(C)C)[N@@H+]1CCC[C@H]1C(=O)N1CCCCCC1 ZINC000096112945 257215046 /nfs/dbraw/zinc/21/50/46/257215046.db2.gz MVOJBTGFDIUUSL-JKSUJKDBSA-N 1 0 323.481 2.014 40 0 biogenic,in-vitro DEABRO COCCNC(=O)[C@H]1CCC[N@H+](Cc2ccc(Cl)cc2)C1 ZINC000028220932 401850376 /nfs/dbraw/zinc/85/03/76/401850376.db2.gz IMWMMCZYOMRDOJ-AWEZNQCLSA-N 1 0 310.825 2.315 40 0 DEABRO CC[N@@H+]1C[C@H]2[C@@H](C1)N(C(=O)c1ccc(C)cc1)CC[C@@H]2OC ZINC000096109396 402059581 /nfs/dbraw/zinc/05/95/81/402059581.db2.gz OZXDYNSVININMC-BBWFWOEESA-N 1 0 302.418 2.176 40 0 DEABRO C[NH+]1CCC2(CC[C@H](C(=O)NCCc3cccs3)O2)CC1 ZINC000096110006 402059815 /nfs/dbraw/zinc/05/98/15/402059815.db2.gz IVRAXVZMEDZUMM-CQSZACIVSA-N 1 0 308.447 2.050 40 0 DEABRO CO[C@H]1CCN(C2CCC2)[C@@H]2C[N@H+](Cc3cccnc3)C[C@@H]21 ZINC000096109478 402059897 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c1cncc(O[C@@H]2CC[C@H]3[C@H]2OCC[N@H+]3CC2CCOCC2)c1 ZINC000096057982 402053142 /nfs/dbraw/zinc/05/31/42/402053142.db2.gz BCHWWYZHHUMTHR-RCCFBDPRSA-N 1 0 318.417 2.119 40 0 DEABRO Cc1noc(C[C@@H]2COC[C@H]3C[N@H+](Cc4ccsc4)C[C@H]32)n1 ZINC000096057247 402053155 /nfs/dbraw/zinc/05/31/55/402053155.db2.gz DIALRWLSRSCVSX-KFWWJZLASA-N 1 0 319.430 2.377 40 0 DEABRO O=C(NCC1CC1)[C@H]1CC[C@@H]2[C@@H](CC[N@@H+]2Cc2cccs2)O1 ZINC000096057459 402053209 /nfs/dbraw/zinc/05/32/09/402053209.db2.gz DQXAIRXHUSQZRP-BZUAXINKSA-N 1 0 320.458 2.396 40 0 DEABRO Fc1ccc(C[N@@H+]2CC[C@@]3(C[C@H](n4cnnc4)CO3)C2)cc1 ZINC000096072869 402056601 /nfs/dbraw/zinc/05/66/01/402056601.db2.gz WHDVPFXQBHJCDM-JKSUJKDBSA-N 1 0 302.353 2.023 40 0 DEABRO CC(C)C(=O)N1CCC2(CCC[N@@H+]2Cc2ccn(C)n2)CC1 ZINC000096075324 402056865 /nfs/dbraw/zinc/05/68/65/402056865.db2.gz GILAXVNLPRYDGY-UHFFFAOYSA-N 1 0 304.438 2.033 40 0 DEABRO CC(C)NC(=O)[C@@H]1C[N@H+](Cc2ccoc2)CC12CCOCC2 ZINC000096078600 402057113 /nfs/dbraw/zinc/05/71/13/402057113.db2.gz BKFZUZANIAIQSR-HNNXBMFYSA-N 1 0 306.406 2.033 40 0 DEABRO Cc1ccc(C[N@@H+]2C[C@@H]3C[C@@H](CC(=O)NC4CCC4)O[C@@H]3C2)o1 ZINC000096220451 402071655 /nfs/dbraw/zinc/07/16/55/402071655.db2.gz WHGFOFJRDXRDCS-RRQGHBQHSA-N 1 0 318.417 2.236 40 0 DEABRO COCC[NH+]1CCC2(C[C@@H](Nc3cccc(OC)c3)CO2)CC1 ZINC000096221505 402072101 /nfs/dbraw/zinc/07/21/01/402072101.db2.gz YNTMZGIFJSRJES-MRXNPFEDSA-N 1 0 320.433 2.377 40 0 DEABRO CC[N@@H+]1CCOC[C@]2(CCCN(C(=O)c3ccsc3)C2)C1 ZINC000096228882 402072793 /nfs/dbraw/zinc/07/27/93/402072793.db2.gz CRLAFLPBJGMZKO-MRXNPFEDSA-N 1 0 308.447 2.323 40 0 DEABRO CC(C)C[N@@H+]1CCN(C)C(=O)C12CCN(Cc1ccco1)CC2 ZINC000096230254 402073475 /nfs/dbraw/zinc/07/34/75/402073475.db2.gz NICWHVGYXFLFGN-UHFFFAOYSA-N 1 0 319.449 2.044 40 0 DEABRO c1cncc(C[NH+]2CCC3(CC(N4CCCC4)=NO3)CC2)c1 ZINC000096240292 402074195 /nfs/dbraw/zinc/07/41/95/402074195.db2.gz WBDIPTNFLUJDQC-UHFFFAOYSA-N 1 0 300.406 2.246 40 0 DEABRO O=C1C[C@]2(CC[N@H+](Cc3cccs3)C2)CN1c1cncnc1 ZINC000096239199 402074211 /nfs/dbraw/zinc/07/42/11/402074211.db2.gz IEJGOMMPVBIDHK-INIZCTEOSA-N 1 0 314.414 2.167 40 0 DEABRO Cn1cc(C[N@@H+]2CCc3ncnc(-c4ccoc4)c3CC2)cn1 ZINC000096255150 402074852 /nfs/dbraw/zinc/07/48/52/402074852.db2.gz UQFXGIRUBAFNTM-UHFFFAOYSA-N 1 0 309.373 2.071 40 0 DEABRO CC(C)NC(=O)c1cc2c(nc1NCC1CC1)CC[N@H+](C)CC2 ZINC000096260598 402075614 /nfs/dbraw/zinc/07/56/14/402075614.db2.gz RLVOTQZDBANXPE-UHFFFAOYSA-N 1 0 316.449 2.072 40 0 DEABRO CO[C@H]1COCC[N@H+](Cc2ccc(OC(F)(F)F)cc2)C1 ZINC000096296494 402076807 /nfs/dbraw/zinc/07/68/07/402076807.db2.gz VNFSSCGEPAVOJV-CYBMUJFWSA-N 1 0 305.296 2.432 40 0 biogenic,in-vitro DEABRO C[N@H+](Cc1ccccn1)[C@@H]1C=CC2(CC1)CCN(C(N)=O)CC2 ZINC000096159851 402063294 /nfs/dbraw/zinc/06/32/94/402063294.db2.gz URZXWORLRVZOLE-MRXNPFEDSA-N 1 0 314.433 2.393 40 0 DEABRO Cn1cc(CN2CC[C@@H]3[C@@H]2CC[N@@H+]3Cc2cccs2)cn1 ZINC000096184593 402065072 /nfs/dbraw/zinc/06/50/72/402065072.db2.gz BQSSKWVIGHJAIJ-JKSUJKDBSA-N 1 0 302.447 2.330 40 0 DEABRO O=C(NCC1CC1)[C@@H]1CC[C@@H]2[C@@H](CC[N@@H+]2Cc2ccsc2)O1 ZINC000096186931 402066171 /nfs/dbraw/zinc/06/61/71/402066171.db2.gz GOHVSPFWLGCXTO-OAGGEKHMSA-N 1 0 320.458 2.396 40 0 DEABRO COCCn1c(=O)ccc2c1CC[C@H]([NH2+]Cc1ccsc1)C2 ZINC000096189660 402066925 /nfs/dbraw/zinc/06/69/25/402066925.db2.gz KSKDDABBYRKQPK-HNNXBMFYSA-N 1 0 318.442 2.203 40 0 DEABRO C[NH+](C)CCN1CCN(Cc2ccco2)Cc2cccnc21 ZINC000096198827 402067468 /nfs/dbraw/zinc/06/74/68/402067468.db2.gz DKIJIDNCWOTFLP-UHFFFAOYSA-N 1 0 300.406 2.058 40 0 DEABRO Cc1cncc(C(=O)N2CC[C@@H]([NH+](C)C)[C@@H]2Cc2ccncc2)c1 ZINC000096200999 402067939 /nfs/dbraw/zinc/06/79/39/402067939.db2.gz GQSVXMAMQMYAJB-MSOLQXFVSA-N 1 0 324.428 2.172 40 0 DEABRO CC(C)[N@H+](C)Cc1cnc2n1CCN(C(=O)CC1CC1)[C@H]2C ZINC000096201229 402067990 /nfs/dbraw/zinc/06/79/90/402067990.db2.gz XFUNRHNJMMHCQV-ZDUSSCGKSA-N 1 0 304.438 2.427 40 0 DEABRO Cc1nnn2c1COC[C@@H](C[NH2+]Cc1ccc(C)c(C)c1)C2 ZINC000096199376 402068158 /nfs/dbraw/zinc/06/81/58/402068158.db2.gz DEXLXBWFNWCSSM-INIZCTEOSA-N 1 0 300.406 2.140 40 0 DEABRO COc1ccc(C(=O)O[C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc1OC ZINC000100132434 402139841 /nfs/dbraw/zinc/13/98/41/402139841.db2.gz AEFPCFUCFQBXDQ-WDNDVIMCSA-N 1 0 305.374 2.486 40 0 biogenic,in-vitro DEABRO C[C@H]1CCC[N@H+](C[C@@H](O)COCCOc2ccc(F)cc2)C1 ZINC000226170763 402326084 /nfs/dbraw/zinc/32/60/84/402326084.db2.gz FTGWBCGALZPYGI-GOEBONIOSA-N 1 0 311.397 2.314 40 0 DEABRO c1ccc(CC[N@@H+]2C[C@H]3OC[C@@H](CNc4ncccn4)[C@H]3C2)cc1 ZINC000248017988 402580447 /nfs/dbraw/zinc/58/04/47/402580447.db2.gz DLSPIHXDBRVWPQ-KZNAEPCWSA-N 1 0 324.428 2.078 40 0 DEABRO CNc1cnc(C[C@@H]2CCC[N@H+](Cc3cncn3C)CC2)cn1 ZINC000257208213 402703395 /nfs/dbraw/zinc/70/33/95/402703395.db2.gz BLEJRFXCUHLBPM-CQSZACIVSA-N 1 0 314.437 2.097 40 0 DEABRO Cc1cc([C@H]2CN(C(=O)C[NH+]3CCCCCC3)CCO2)ccn1 ZINC000257218430 402704580 /nfs/dbraw/zinc/70/45/80/402704580.db2.gz DDCQOKASSTZNBU-QGZVFWFLSA-N 1 0 317.433 2.166 40 0 DEABRO COc1ccccc1[C@H]1C[N@H+](CC2CCOCC2)CCN1C ZINC000257230057 402706474 /nfs/dbraw/zinc/70/64/74/402706474.db2.gz GAPDXXVGQRIODC-QGZVFWFLSA-N 1 0 304.434 2.410 40 0 DEABRO Cc1ccc(CC(=O)N[C@@H]2CCC[C@@H]([NH+]3CCCC3)[C@@H]2O)s1 ZINC000257236226 402707140 /nfs/dbraw/zinc/70/71/40/402707140.db2.gz HBHFRRZVWJVGDL-BFYDXBDKSA-N 1 0 322.474 2.093 40 0 DEABRO COCC[N@@H+]1CCC[C@H](Cc2cnc(-c3cc(C)[nH]n3)cn2)C1 ZINC000257252224 402708653 /nfs/dbraw/zinc/70/86/53/402708653.db2.gz JTZKTURDAXAJGU-CQSZACIVSA-N 1 0 315.421 2.076 40 0 DEABRO C[NH2+]CC(=O)N1CCC[C@H](Cc2ccnc3ccncc23)CC1 ZINC000257255570 402709613 /nfs/dbraw/zinc/70/96/13/402709613.db2.gz KHZYIXCPVZDUAN-AWEZNQCLSA-N 1 0 312.417 2.020 40 0 DEABRO Cc1nccc([C@H]2CCC[N@@H+](Cc3cnc(N(C)C)nc3)C2)n1 ZINC000257331324 402711854 /nfs/dbraw/zinc/71/18/54/402711854.db2.gz XSJQOEZJAWYBNL-HNNXBMFYSA-N 1 0 312.421 2.021 40 0 DEABRO N=C(NN=C1Nc2cccc3c2[C@H](CCC3)N1)c1ccccn1 ZINC000255187086 402681362 /nfs/dbraw/zinc/68/13/62/402681362.db2.gz BFHDYWMTCZPNEI-ZDUSSCGKSA-N 1 0 306.373 2.169 40 0 DEABRO CC[NH+](CC)CC[C@H]1CN(C(=O)C2CCC2)Cc2cncn21 ZINC000585096350 405865708 /nfs/dbraw/zinc/86/57/08/405865708.db2.gz JTFWXMAZTUAESI-HNNXBMFYSA-N 1 0 304.438 2.298 40 0 DEABRO CC(C)(C)OC(=O)N[C@@H]1CCN([C@H](C[NH3+])c2ccc(F)cc2)C1 ZINC000242437322 277202817 /nfs/dbraw/zinc/20/28/17/277202817.db2.gz BYXVVXTXINETJW-HUUCEWRRSA-N 1 0 323.412 2.425 40 0 DEABRO CC(C)N(C(=O)OC(C)(C)C)[C@H]1CC[C@H](NC(=O)C[NH3+])CC1 ZINC000242400290 279299446 /nfs/dbraw/zinc/29/94/46/279299446.db2.gz ATIZSGOWKDTQIO-JOCQHMNTSA-N 1 0 313.442 2.018 40 0 DEABRO CC(C)[N@H+]1Cc2ccnn2C[C@@H](CCNc2ncccn2)C1 ZINC000306134201 529106540 /nfs/dbraw/zinc/10/65/40/529106540.db2.gz NFPSCWUMYQAPKO-AWEZNQCLSA-N 1 0 300.410 2.016 40 0 DEABRO CC(C)[C@@H](NC[C@@]1(O)CCC[N@H+](C)C1)c1nc2ccccc2[nH]1 ZINC000046087363 1078371644 /nfs/dbraw/zinc/37/16/44/1078371644.db2.gz KMUGKVDSUWVBCS-AEFFLSMTSA-N 1 0 316.449 2.306 40 0 DEABRO O=S(=O)(NC[C@@H]1CCCC[NH2+]1)c1ccc(Cl)cc1Cl ZINC000079440511 185171683 /nfs/dbraw/zinc/17/16/83/185171683.db2.gz SDOWRVUKDREMNK-JTQLQIEISA-N 1 0 323.245 2.414 40 0 DEABRO CC(C)[N@H+](CCN)C[C@H]1CCN(C(=O)OCc2ccccc2)C1 ZINC000079391828 185168659 /nfs/dbraw/zinc/16/86/59/185168659.db2.gz WDHRGEWDXNMEDH-QGZVFWFLSA-N 1 0 319.449 2.314 40 0 DEABRO O[C@@H]1C[C@H](c2ccccc2)[C@@H]([NH2+]Cc2ccc(F)cc2)[C@@H]1O ZINC000072321867 191122336 /nfs/dbraw/zinc/12/23/36/191122336.db2.gz LXASOHILAFZWTK-BRSBDYLESA-N 1 0 301.361 2.193 40 0 biogenic,in-vitro DEABRO CCOc1cc2c(cc1CN1C[C@@H]3CCC[N@@H+]3C[C@@H]1C)OCO2 ZINC000072324577 191123029 /nfs/dbraw/zinc/12/30/29/191123029.db2.gz AQHBQPOCPHUUKS-ZFWWWQNUSA-N 1 0 318.417 2.483 40 0 DEABRO COC(=O)[C@@]1(C)C(=O)C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(F)cc1 ZINC000072340184 191126845 /nfs/dbraw/zinc/12/68/45/191126845.db2.gz GINHXZURABBCQZ-JKIFEVAISA-N 1 0 305.349 2.311 40 0 DEABRO c1ccc(CCN2CCn3c(nnc3[C@H]3CCCC[NH2+]3)C2)cc1 ZINC000072374071 191139860 /nfs/dbraw/zinc/13/98/60/191139860.db2.gz QSNLDYDBBJPWCU-MRXNPFEDSA-N 1 0 311.433 2.151 40 0 DEABRO CC[NH+](CC)C[C@@H](C)NC(=O)CCn1nc(C)c(Cl)c1C ZINC000002781811 180956672 /nfs/dbraw/zinc/95/66/72/180956672.db2.gz KENSMHUZZBQAHO-LLVKDONJSA-N 1 0 314.861 2.390 40 0 DEABRO Cn1cc(CN2CC[C@@]3(c4ccccc4)CC[N@H+](C)[C@@H]3C2)cn1 ZINC000096058418 355697969 /nfs/dbraw/zinc/69/79/69/355697969.db2.gz KIKDBKSXYHFZDL-RTBURBONSA-N 1 0 310.445 2.268 40 0 DEABRO CCn1cc(C[N@@H+]2CCC[C@@]3(CCC(=O)N3CC)CC2)cn1 ZINC000585100623 357332902 /nfs/dbraw/zinc/33/29/02/357332902.db2.gz QHLILJIPKUFIQU-QGZVFWFLSA-N 1 0 304.438 2.270 40 0 DEABRO O=C(C[C@H]1Cn2cccc2C[N@@H+](C2CCC2)C1)N1CCCO1 ZINC000585099095 357333199 /nfs/dbraw/zinc/33/31/99/357333199.db2.gz LWJSIDOGLGQEDP-AWEZNQCLSA-N 1 0 303.406 2.026 40 0 DEABRO C[N@@H+]1CCC[C@@H]1c1ccnc(N2CC3(CCOCC3)OC2=O)c1 ZINC000585178792 357340104 /nfs/dbraw/zinc/34/01/04/357340104.db2.gz DZACOUUXQNDDKG-CQSZACIVSA-N 1 0 317.389 2.354 40 0 DEABRO CO[C@@]1(COc2ccccc2)CC[N@H+](Cc2c[nH]nc2C)C1 ZINC000585274699 357341034 /nfs/dbraw/zinc/34/10/34/357341034.db2.gz MDFAOIYKIOBNJS-KRWDZBQOSA-N 1 0 301.390 2.388 40 0 DEABRO C[NH+](C)CCCNC(=O)CSc1nc2ccccc2s1 ZINC000006711849 181375980 /nfs/dbraw/zinc/37/59/80/181375980.db2.gz LXOMBTKSRRIWPC-UHFFFAOYSA-N 1 0 309.460 2.456 40 0 DEABRO Cc1cc2oc(=O)cc(C)c2cc1OC[C@@H](O)C[NH2+]C(C)C ZINC000006922341 181406527 /nfs/dbraw/zinc/40/65/27/181406527.db2.gz LWLXSESITKEFNQ-ZDUSSCGKSA-N 1 0 305.374 2.148 40 0 DEABRO Cc1ccc(C[N@@H+]2CCOC[C@@H](Cc3cc(=O)[nH]cn3)C2)cc1 ZINC000257299145 203022336 /nfs/dbraw/zinc/02/23/36/203022336.db2.gz ROXFJCUCHJQHEG-INIZCTEOSA-N 1 0 313.401 2.182 40 0 DEABRO CN(C)c1ncc(CN2CC[N@H+](C)[C@@H](c3ccccc3)C2)cn1 ZINC000257318852 203042276 /nfs/dbraw/zinc/04/22/76/203042276.db2.gz VPQPFSCLJSTPGV-QGZVFWFLSA-N 1 0 311.433 2.031 40 0 DEABRO Cc1occc1C(=O)N1CC[C@]2(C1)C[C@H]([NH+]1CCCC1)CCO2 ZINC000096207902 193582081 /nfs/dbraw/zinc/58/20/81/193582081.db2.gz DAEVYKWWLNVQLZ-CRAIPNDOSA-N 1 0 318.417 2.448 40 0 DEABRO CCOC(=O)[C@H](C[NH2+]C)Cc1cccc(Br)c1 ZINC000012649785 181785365 /nfs/dbraw/zinc/78/53/65/181785365.db2.gz KULGTGIAOZLSEB-NSHDSACASA-N 1 0 300.196 2.390 40 0 DEABRO COc1ccccc1CN1C[C@H](O)C[C@H]1c1nc(C2CC2)no1 ZINC000015674793 182011622 /nfs/dbraw/zinc/01/16/22/182011622.db2.gz RSJCHKWVCAOZEB-KGLIPLIRSA-N 1 0 315.373 2.264 40 0 biogenic,in-vitro DEABRO O=C(C1CCCC1)N1CCC[C@@H](c2ncc3c(n2)CC[NH2+]C3)C1 ZINC000019292291 182113393 /nfs/dbraw/zinc/11/33/93/182113393.db2.gz TYAZJLJCGWAFIH-CQSZACIVSA-N 1 0 314.433 2.019 40 0 DEABRO O=C(C1CCCC1)N1CCC(c2ncc3c(n2)CC[NH2+]C3)CC1 ZINC000019292404 182113540 /nfs/dbraw/zinc/11/35/40/182113540.db2.gz UBRSCDJDUNNBBU-UHFFFAOYSA-N 1 0 314.433 2.019 40 0 DEABRO O=C(C1CCCC1)N1CCc2nc([C@@H]3CCC[NH2+]C3)ncc2C1 ZINC000019292361 182113907 /nfs/dbraw/zinc/11/39/07/182113907.db2.gz KLVULISELMEJET-CQSZACIVSA-N 1 0 314.433 2.019 40 0 DEABRO COc1ccc(CN2CCc3nc([C@H]4CC[NH2+]C4)ncc3C2)cc1 ZINC000019555592 182130500 /nfs/dbraw/zinc/13/05/00/182130500.db2.gz BFDZZADJEUFZKY-HNNXBMFYSA-N 1 0 324.428 2.120 40 0 DEABRO CC(C)OC(=O)Cn1c([C@H]2CCC[NH2+]C2)cc2cccnc21 ZINC000019450384 182124128 /nfs/dbraw/zinc/12/41/28/182124128.db2.gz HDMOPGJLHRVCJA-AWEZNQCLSA-N 1 0 301.390 2.455 40 0 DEABRO CCN1CCC[C@H]1C[NH2+]CC(=O)N[C@]1(C)[C@@H]2CC[C@@H](C2)C1(C)C ZINC000022587078 182327395 /nfs/dbraw/zinc/32/73/95/182327395.db2.gz IPBIEUUILOVODC-CYJAXWMASA-N 1 0 321.509 2.391 40 0 DEABRO COc1ccc(O[C@@H](C)C(=O)NCCC2CC[NH+](C)CC2)cc1 ZINC000156398007 197110411 /nfs/dbraw/zinc/11/04/11/197110411.db2.gz DSYLSCMXZNSEAV-AWEZNQCLSA-N 1 0 320.433 2.311 40 0 DEABRO Cc1c[nH]nc1[C@@H]1CCN(C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC000257271980 256621486 /nfs/dbraw/zinc/62/14/86/256621486.db2.gz NAOMFMNNMHVLCM-OAHLLOKOSA-N 1 0 304.438 2.154 40 0 DEABRO CC[NH+]1CCN(c2ccc(CNC(=O)OC(C)(C)C)cn2)CC1 ZINC000072225542 257123830 /nfs/dbraw/zinc/12/38/30/257123830.db2.gz PECKSQDYIBVXCU-UHFFFAOYSA-N 1 0 320.437 2.248 40 0 DEABRO O=C(C[C@H](c1ccccc1)C1CC[NH2+]CC1)N1CCOCC1 ZINC000072208359 257128407 /nfs/dbraw/zinc/12/84/07/257128407.db2.gz YXQDIOBFNMTWPW-QGZVFWFLSA-N 1 0 302.418 2.019 40 0 DEABRO COc1ccc(NC(=O)c2nc3c(s2)CC[NH2+]CC3)cc1 ZINC000106241877 257232616 /nfs/dbraw/zinc/23/26/16/257232616.db2.gz NVTLCSLZCUAXTL-UHFFFAOYSA-N 1 0 303.387 2.092 40 0 DEABRO COc1cc(C[NH2+]C(C)(C)CO)cc(Br)c1OC ZINC000006883112 401733492 /nfs/dbraw/zinc/73/34/92/401733492.db2.gz ONCALYXVKQNUHZ-UHFFFAOYSA-N 1 0 318.211 2.327 40 0 DEABRO CC[NH+]1CCN(c2ccc(NC(=O)C(F)(F)F)cc2)CC1 ZINC000007387831 401739664 /nfs/dbraw/zinc/73/96/64/401739664.db2.gz RHELFPFFNDYTFN-UHFFFAOYSA-N 1 0 301.312 2.329 40 0 DEABRO CC(C)Oc1ccc(CN2C[C@H]3C[C@@H](O)C[N@@H+]3C[C@H]2C)cc1 ZINC000072324823 401709155 /nfs/dbraw/zinc/70/91/55/401709155.db2.gz UTQHYDCGENFTLV-DJIMGWMZSA-N 1 0 304.434 2.113 40 0 DEABRO CCC[NH+]1CCC(CNC(=O)c2cc(C3CC3)nn2C)CC1 ZINC000012201812 401781893 /nfs/dbraw/zinc/78/18/93/401781893.db2.gz ZTPNYGZVTDFRCK-UHFFFAOYSA-N 1 0 304.438 2.149 40 0 DEABRO CC1(C)NC(=[NH2+])NC(=N)N1c1ccc(C(=O)c2ccccc2)cc1 ZINC000017040319 401820168 /nfs/dbraw/zinc/82/01/68/401820168.db2.gz HLMCKSIJVYJMOC-UHFFFAOYSA-N 1 0 321.384 2.103 40 0 DEABRO CC(C)[N@@H+](Cc1ccccc1)C[C@H]1CCCN1C(=O)[C@H](C)[NH3+] ZINC000079415516 401873194 /nfs/dbraw/zinc/87/31/94/401873194.db2.gz KDZYPFLVLBSRMC-DOTOQJQBSA-N 1 0 303.450 2.235 40 0 DEABRO C[NH+]1CCN(c2nc(-c3ccncc3)cc3ncccc32)CC1 ZINC000019590087 401822347 /nfs/dbraw/zinc/82/23/47/401822347.db2.gz XSHQMOZMEFTYDX-UHFFFAOYSA-N 1 0 305.385 2.444 40 0 DEABRO Nc1[nH+]c2ccccc2n1C1=CC(=O)N(c2ccccc2)C1=O ZINC000020636500 401824171 /nfs/dbraw/zinc/82/41/71/401824171.db2.gz KFMMRRJJSXYRBU-UHFFFAOYSA-N 1 0 304.309 2.033 40 0 DEABRO CC[C@H](OC[C@H](O)CN1CC[NH+](CC)CC1)c1ccccc1 ZINC000022030789 401826243 /nfs/dbraw/zinc/82/62/43/401826243.db2.gz VSEBAVWJBVADMN-MSOLQXFVSA-N 1 0 306.450 2.153 40 0 DEABRO COc1ccc(SCC(=O)NCCC[NH+]2CCCC2)cc1 ZINC000030865729 401866631 /nfs/dbraw/zinc/86/66/31/401866631.db2.gz AJFYFQJNYZBVLO-UHFFFAOYSA-N 1 0 308.447 2.389 40 0 DEABRO CC(C)(C)OC(=O)N[C@H]1CCN([C@@H](C[NH3+])c2cccc(F)c2)C1 ZINC000035622914 401900315 /nfs/dbraw/zinc/90/03/15/401900315.db2.gz VRYSCJWEGYNXBY-GJZGRUSLSA-N 1 0 323.412 2.425 40 0 DEABRO C[C@H]1C[C@H](C)C[NH+](C[C@H](O)COc2ccc3c(c2)OCO3)C1 ZINC000037530385 401914883 /nfs/dbraw/zinc/91/48/83/401914883.db2.gz MBGJDHGOOZFDKI-IHRRRGAJSA-N 1 0 307.390 2.133 40 0 DEABRO c1ccc(C[N@H+]2C[C@@H]3COC[C@]3(COc3cccnc3)C2)nc1 ZINC000096108823 402059918 /nfs/dbraw/zinc/05/99/18/402059918.db2.gz AHFUPNXTROTPOC-QAPCUYQASA-N 1 0 311.385 2.004 40 0 DEABRO Cc1noc(C)c1C[N@@H+]1CC[C@H]2C[C@@H](c3ccncn3)O[C@@H]2C1 ZINC000096046324 402050353 /nfs/dbraw/zinc/05/03/53/402050353.db2.gz JTORMWGCLYNYOB-RRQGHBQHSA-N 1 0 314.389 2.434 40 0 DEABRO Cn1cc([C@H]2COC3(C2)CC[NH+](Cc2ccccn2)CC3)cn1 ZINC000096047802 402050850 /nfs/dbraw/zinc/05/08/50/402050850.db2.gz OTTRTLBSHWQXCN-OAHLLOKOSA-N 1 0 312.417 2.354 40 0 DEABRO O=C(c1ccco1)N1CCC2(C[C@H]([NH+]3CCCC3)CO2)CC1 ZINC000096047958 402051006 /nfs/dbraw/zinc/05/10/06/402051006.db2.gz BYJWCXDBPDHOQA-AWEZNQCLSA-N 1 0 304.390 2.139 40 0 DEABRO CS(=O)(=O)N1CCCC12CC[NH+](Cc1ccsc1)CC2 ZINC000096049344 402051332 /nfs/dbraw/zinc/05/13/32/402051332.db2.gz SKIVBNLAPWAJNY-UHFFFAOYSA-N 1 0 314.476 2.138 40 0 DEABRO Cc1noc([C@H]2CC[C@@H]3[C@@H](CC[N@@H+]3Cc3ccccn3)O2)n1 ZINC000096057520 402053234 /nfs/dbraw/zinc/05/32/34/402053234.db2.gz YYJFOJXHMLBHEB-RBSFLKMASA-N 1 0 300.362 2.268 40 0 DEABRO O=C(NC1CC1)[C@H]1C[C@H]2OCC[C@H]2[N@H+](Cc2ccc(F)cc2)C1 ZINC000096057662 402053308 /nfs/dbraw/zinc/05/33/08/402053308.db2.gz IGZCDADDHSRVRJ-IAOVAPTHSA-N 1 0 318.392 2.084 40 0 DEABRO c1coc(C[NH2+]C[C@H]2Cn3nnc(-c4ccccc4)c3CO2)c1 ZINC000096061068 402055099 /nfs/dbraw/zinc/05/50/99/402055099.db2.gz RUBHMJWZSADMDN-HNNXBMFYSA-N 1 0 310.357 2.227 40 0 DEABRO CC(C)NC(=O)[C@H]1C[N@H+](Cc2ccoc2)CC12CCOCC2 ZINC000096078601 402057018 /nfs/dbraw/zinc/05/70/18/402057018.db2.gz BKFZUZANIAIQSR-OAHLLOKOSA-N 1 0 306.406 2.033 40 0 DEABRO Cc1cccc(C[N@@H+]2CC[C@@H]3[C@@H]2CC(=O)N3Cc2ccncc2)n1 ZINC000096081325 402057688 /nfs/dbraw/zinc/05/76/88/402057688.db2.gz ILKTXEXVGGOCBI-MSOLQXFVSA-N 1 0 322.412 2.160 40 0 DEABRO CCC[NH+]1CCC2(CN(c3ccc4c(c3)OCO4)C2=O)CC1 ZINC000096202981 402069095 /nfs/dbraw/zinc/06/90/95/402069095.db2.gz UWSTXAUGOOFHLC-UHFFFAOYSA-N 1 0 302.374 2.254 40 0 DEABRO CN(C)C(=O)C[N@@H+]1CCC[C@@]12CCCN(Cc1ccsc1)C2 ZINC000096214873 402070372 /nfs/dbraw/zinc/07/03/72/402070372.db2.gz QBMJLHUXGHBZLJ-QGZVFWFLSA-N 1 0 321.490 2.267 40 0 DEABRO c1c[nH]c(C[N@@H+]2CC[C@H]3OCCN(c4cccnc4)[C@H]3CC2)c1 ZINC000096249425 402074964 /nfs/dbraw/zinc/07/49/64/402074964.db2.gz AODWECBXTYRADR-ZWKOTPCHSA-N 1 0 312.417 2.280 40 0 DEABRO Cn1cccc1C[NH+]1CCC2(CCN(CC3CC3)C2=O)CC1 ZINC000096157806 402063516 /nfs/dbraw/zinc/06/35/16/402063516.db2.gz XCDLLRWRKDBUIB-UHFFFAOYSA-N 1 0 301.434 2.250 40 0 DEABRO O=C1CCCN1[C@H]1C[N@@H+](Cc2ccc(F)cc2)[C@H]2CCCO[C@@H]12 ZINC000096185788 402066087 /nfs/dbraw/zinc/06/60/87/402066087.db2.gz FNLSWOSZCDSVKT-XYJFISCASA-N 1 0 318.392 2.180 40 0 DEABRO O=C(c1cccnc1)N1CCC2(C[NH+](Cc3cccs3)C2)C1 ZINC000096202730 402068726 /nfs/dbraw/zinc/06/87/26/402068726.db2.gz JHKXYYLWFUNTBV-UHFFFAOYSA-N 1 0 313.426 2.491 40 0 DEABRO C[C@@H]1C[N@H+](C[C@@H]2CCOC2)C[C@]12CCN(c1ccsc1)C2=O ZINC000096201790 402068810 /nfs/dbraw/zinc/06/88/10/402068810.db2.gz MRJZJSCXZHBSEF-JKIFEVAISA-N 1 0 320.458 2.459 40 0 DEABRO c1cnc(N2CCC3(CC2)CC[NH+](C[C@H]2CCOC2)CC3)nc1 ZINC000101138454 402143759 /nfs/dbraw/zinc/14/37/59/402143759.db2.gz UZZDFIKUAAUOIT-MRXNPFEDSA-N 1 0 316.449 2.196 40 0 DEABRO COC[C@@H]1CC[C@H]2[C@H](CC[N@@H+]2Cc2ccc3c(c2)OCO3)O1 ZINC000107204758 402227695 /nfs/dbraw/zinc/22/76/95/402227695.db2.gz VGAQWNLIUUZNBX-KKUMJFAQSA-N 1 0 305.374 2.184 40 0 DEABRO CC(C)[N@H+](C)C[C@@H]1CO[C@@]2(C1)COCCN(Cc1ccco1)C2 ZINC000107738625 402239727 /nfs/dbraw/zinc/23/97/27/402239727.db2.gz OPFLPMXLWRRBAW-SJLPKXTDSA-N 1 0 322.449 2.227 40 0 DEABRO c1coc(C[N@@H+]2CCC[C@@]3(C[C@@H](Nc4ncccn4)CO3)C2)c1 ZINC000107730786 402240087 /nfs/dbraw/zinc/24/00/87/402240087.db2.gz MKMAWSJBDSWHBF-RHSMWYFYSA-N 1 0 314.389 2.305 40 0 DEABRO CNC(=O)[C@H]1CCC[C@]12CC[N@H+](Cc1ccc3c(c1)CCO3)C2 ZINC000108534949 402256253 /nfs/dbraw/zinc/25/62/53/402256253.db2.gz ICWKIBFULSGUCC-VQIMIIECSA-N 1 0 314.429 2.360 40 0 DEABRO Cc1cccc(C(=O)N2CCC3(CC2)C[C@H]([NH+](C)C)CCO3)n1 ZINC000108532627 402256424 /nfs/dbraw/zinc/25/64/24/402256424.db2.gz ZOSYSIQRLKZSDO-OAHLLOKOSA-N 1 0 317.433 2.105 40 0 DEABRO C[NH+]1CCN(c2ccc(NC(=O)c3ccccc3)cc2N)CC1 ZINC000226265412 402326632 /nfs/dbraw/zinc/32/66/32/402326632.db2.gz MGGRLPHXIDPKCA-UHFFFAOYSA-N 1 0 310.401 2.273 40 0 DEABRO CC[NH+]1CCN(c2ccc(N)cc2NC(=O)c2ccco2)CC1 ZINC000226260883 402326833 /nfs/dbraw/zinc/32/68/33/402326833.db2.gz GQCDGCSDPHUCPP-UHFFFAOYSA-N 1 0 314.389 2.256 40 0 DEABRO COc1ccccc1CN1Cc2ccnn2[C@H](CC[NH+](C)C)C1 ZINC000248142234 402583638 /nfs/dbraw/zinc/58/36/38/402583638.db2.gz UMCAZAUJTNUHCD-QGZVFWFLSA-N 1 0 314.433 2.400 40 0 DEABRO [NH3+]Cc1cnn(-c2ccccc2C(=O)NCc2ccccc2F)c1 ZINC000257228548 402705813 /nfs/dbraw/zinc/70/58/13/402705813.db2.gz FUGAGTAHQTYWMV-UHFFFAOYSA-N 1 0 324.359 2.400 40 0 DEABRO Cc1ccnc([C@@H]2CC[N@H+](Cc3cnn4c3nc(C)cc4C)C2)n1 ZINC000257230476 402706283 /nfs/dbraw/zinc/70/62/83/402706283.db2.gz GCNDZELBFBJBFV-OAHLLOKOSA-N 1 0 322.416 2.434 40 0 DEABRO CNc1cc(C)[nH+]c([C@H]2CCN(C(=O)c3cccc(=O)[nH]3)C2)c1 ZINC000257237822 402706971 /nfs/dbraw/zinc/70/69/71/402706971.db2.gz HIIDEEZVXHBVAD-LBPRGKRZSA-N 1 0 312.373 2.162 40 0 DEABRO O=c1cc(C[C@@H]2COCC[N@@H+](Cc3cccc(F)c3)C2)nc[nH]1 ZINC000257272157 402711577 /nfs/dbraw/zinc/71/15/77/402711577.db2.gz NBHBHYMJQMOTPG-AWEZNQCLSA-N 1 0 317.364 2.012 40 0 DEABRO N=C(NN=C1Nc2cccc3c2[C@@H](CCC3)N1)c1ccccn1 ZINC000255187085 402681332 /nfs/dbraw/zinc/68/13/32/402681332.db2.gz BFHDYWMTCZPNEI-CYBMUJFWSA-N 1 0 306.373 2.169 40 0 DEABRO C[C@@H](NC(=O)N1CCCC[C@@H]1c1cn[nH]c1)C1=CC[N@H+](C)CC1 ZINC000332842701 403624468 /nfs/dbraw/zinc/62/44/68/403624468.db2.gz VJZVOZKUTPXFKL-CZUORRHYSA-N 1 0 317.437 2.297 40 0 DEABRO CC(C)(C[NH2+][C@@H]1CCc2cccnc2CC1)C1(O)CCOCC1 ZINC000333797089 403863531 /nfs/dbraw/zinc/86/35/31/403863531.db2.gz XKRNQMJMHFMMKA-MRXNPFEDSA-N 1 0 318.461 2.486 40 0 DEABRO Nc1nc([C@H]2CCC[N@@H+]2C2CCOCC2)cc(C(F)(F)F)n1 ZINC000257310222 295369467 /nfs/dbraw/zinc/36/94/67/295369467.db2.gz UEFUPQOGJFGBJL-LLVKDONJSA-N 1 0 316.327 2.394 40 0 DEABRO Cc1noc(C)c1CN1CC[C@H]2[C@H]1CC[N@@H+]2CC1CCOCC1 ZINC000306131168 534358401 /nfs/dbraw/zinc/35/84/01/534358401.db2.gz JYBBKNRVHOJWIE-ZWKOTPCHSA-N 1 0 319.449 2.367 40 0 DEABRO Cc1cccc(N2CCN(C(=O)C3CC[NH+](C)CC3)CC2)c1C ZINC000074707404 185010788 /nfs/dbraw/zinc/01/07/88/185010788.db2.gz RHGLTHXCKXYQOL-UHFFFAOYSA-N 1 0 315.461 2.294 40 0 DEABRO CCN(C[C@H]1CCC[N@@H+]1CCO)C(=O)OCc1ccccc1 ZINC000079411027 185169822 /nfs/dbraw/zinc/16/98/22/185169822.db2.gz NPLCFBXMNVQOGA-MRXNPFEDSA-N 1 0 306.406 2.102 40 0 DEABRO CCN(C(=O)[C@H](C)[NH3+])[C@@H]1CCCC[C@@H]1NC(=O)OC(C)(C)C ZINC000079391270 185168034 /nfs/dbraw/zinc/16/80/34/185168034.db2.gz DOVPZTAIJAVTKW-RWMBFGLXSA-N 1 0 313.442 2.018 40 0 DEABRO [NH3+]CCN(C1CC1)[C@@H]1CCCN(C(=O)OCc2ccccc2)C1 ZINC000079391865 185168682 /nfs/dbraw/zinc/16/86/82/185168682.db2.gz BEOFPMBIXLIWGN-QGZVFWFLSA-N 1 0 317.433 2.211 40 0 DEABRO C[NH+](C)CCCNc1nc(Nc2ccccc2)cc(C2CC2)n1 ZINC000328993061 231409355 /nfs/dbraw/zinc/40/93/55/231409355.db2.gz IYFPWNXMTLYHNQ-UHFFFAOYSA-N 1 0 311.433 2.305 40 0 DEABRO Cc1ccsc1S(=O)(=O)N1CCC2(CC([NH+](C)C)C2)C1 ZINC000108525612 185518544 /nfs/dbraw/zinc/51/85/44/185518544.db2.gz IDEIYPPCNOSHGN-UHFFFAOYSA-N 1 0 314.476 2.161 40 0 DEABRO CCOc1cc2c(cc1CN1C[C@H]3CCC[N@@H+]3C[C@@H]1C)OCO2 ZINC000072324579 191123097 /nfs/dbraw/zinc/12/30/97/191123097.db2.gz AQHBQPOCPHUUKS-DZGCQCFKSA-N 1 0 318.417 2.483 40 0 DEABRO Cc1cc(Nc2ccccn2)nc([C@@H]2CCC[N@H+](CCO)C2)n1 ZINC000072359951 191131008 /nfs/dbraw/zinc/13/10/08/191131008.db2.gz UTEFZZHDOYLYOK-CQSZACIVSA-N 1 0 313.405 2.095 40 0 DEABRO Cn1cc(C[N@@H+]2CC[C@H](c3nc(-c4ccccc4)no3)C2)cn1 ZINC000072369835 191139341 /nfs/dbraw/zinc/13/93/41/191139341.db2.gz VSNLVCJBVINZTJ-HNNXBMFYSA-N 1 0 309.373 2.460 40 0 DEABRO Cc1cc(C)nc([C@H]2CCN(C(=O)C[NH+]3CCCCCC3)C2)n1 ZINC000072369672 191139620 /nfs/dbraw/zinc/13/96/20/191139620.db2.gz XGSDCIFKZPVZOL-INIZCTEOSA-N 1 0 316.449 2.285 40 0 DEABRO c1cnc(-c2nnc([C@@H]3CCC[N@@H+](Cc4ccncc4)C3)o2)cn1 ZINC000072390052 191147443 /nfs/dbraw/zinc/14/74/43/191147443.db2.gz CZEPXXZXYVYCHT-CQSZACIVSA-N 1 0 322.372 2.301 40 0 DEABRO O=C(O[C@@H]1C[NH+]2CCC1CC2)[C@](O)(Cc1ccccc1)C1CC1 ZINC000001640684 180882119 /nfs/dbraw/zinc/88/21/19/180882119.db2.gz CFCSBBISFREYTC-MJGOQNOKSA-N 1 0 315.413 2.008 40 0 DEABRO Fc1cnc(N2C[C@@H]3C[N@H+](Cc4cccc(F)c4)C[C@@H]3C2)nc1 ZINC000096161692 283036635 /nfs/dbraw/zinc/03/66/35/283036635.db2.gz PHRVARBDUNENEB-OKILXGFUSA-N 1 0 316.355 2.323 40 0 DEABRO CC(=O)Nc1ccc(OC[C@H](O)C[NH+]2CCCCCC2)cc1 ZINC000005043791 181196164 /nfs/dbraw/zinc/19/61/64/181196164.db2.gz PKRHEPSWIFIAOZ-MRXNPFEDSA-N 1 0 306.406 2.261 40 0 DEABRO COc1cc(OC)c([C@H]2CC[N@H+](C)C[C@H]2OC(C)=O)c(OC)c1 ZINC000095080098 355696219 /nfs/dbraw/zinc/69/62/19/355696219.db2.gz AHNPFVYJZRFONV-XJKSGUPXSA-N 1 0 323.389 2.063 40 0 DEABRO CCC[C@@H](C)[N@@H+]1CCC[C@@]2(CN(c3ccc(=O)n(C)c3)C2=O)C1 ZINC000585099606 357333164 /nfs/dbraw/zinc/33/31/64/357333164.db2.gz SGKQGSAUJFFMBK-KDOFPFPSSA-N 1 0 317.433 2.003 40 0 DEABRO CC(C)C(=O)N1CCC2(C[N@H+](C)C[C@H]2COCC2CC2)CC1 ZINC000585102773 357334367 /nfs/dbraw/zinc/33/43/67/357334367.db2.gz FGFDCARSCHRKLL-INIZCTEOSA-N 1 0 308.466 2.239 40 0 DEABRO O[C@@]1(COc2ccc(F)cc2)CCC[N@@H+](C2CCOCC2)C1 ZINC000585269147 357340034 /nfs/dbraw/zinc/34/00/34/357340034.db2.gz KMTZISPHUVFGMW-KRWDZBQOSA-N 1 0 309.381 2.210 40 0 DEABRO Cc1cc(C)c2[nH]c(=O)c(C[NH2+]C[C@@H](O)COC(C)C)cc2c1 ZINC000585291803 357345630 /nfs/dbraw/zinc/34/56/30/357345630.db2.gz DDDFTYYSVWUPLD-MRXNPFEDSA-N 1 0 318.417 2.433 40 0 DEABRO Cc1cc2nc(C3CC[NH+](Cc4c[nH]nc4C)CC3)ccn2n1 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O=C(c1ccccc1)N1CCc2nc([C@H]3CCC[NH2+]3)ncc2C1 ZINC000019368914 182119844 /nfs/dbraw/zinc/11/98/44/182119844.db2.gz PLGMINNTBCQGAT-MRXNPFEDSA-N 1 0 308.385 2.100 40 0 DEABRO CC[C@@H](C)c1ccccc1OC[C@H](O)CN1CC[NH+](C)CC1 ZINC000022030762 182305937 /nfs/dbraw/zinc/30/59/37/182305937.db2.gz HDSXDWIYKQEUAP-HZPDHXFCSA-N 1 0 306.450 2.187 40 0 DEABRO CC(C)(C)C1CCC(OC[C@@H](O)C[NH2+]C(C)(C)CO)CC1 ZINC000026781240 182453306 /nfs/dbraw/zinc/45/33/06/182453306.db2.gz BGUIWPSVDRNGEF-SLTAFYQDSA-N 1 0 301.471 2.329 40 0 DEABRO O=C(NC[C@@H]1CCCO1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000038849063 183011197 /nfs/dbraw/zinc/01/11/97/183011197.db2.gz SNRAQBYPRGFDGU-SJORKVTESA-N 1 0 302.418 2.194 40 0 DEABRO c1csc(CN2CCC3(CC2)COCC[N@H+]3CC2CC2)n1 ZINC000063527211 184285159 /nfs/dbraw/zinc/28/51/59/184285159.db2.gz RSSAOYJUGHKXNZ-UHFFFAOYSA-N 1 0 307.463 2.220 40 0 DEABRO COc1c2c(c([C@H](O)C(F)(F)F)c3c1C[N@H+](C)CC3)OCO2 ZINC000242649320 257120313 /nfs/dbraw/zinc/12/03/13/257120313.db2.gz 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CC(C)[C@H](CO)Nc1cc(N2CCc3ccccc3C2)ncn1 ZINC000329067628 404218784 /nfs/dbraw/zinc/21/87/84/404218784.db2.gz YJOAHRGGZRDHSJ-INIZCTEOSA-N 1 0 312.417 2.468 40 0 DEABRO FC(F)(F)c1nc(Cl)cc(NCCC2CC[NH2+]CC2)n1 ZINC000329025702 424903014 /nfs/dbraw/zinc/90/30/14/424903014.db2.gz PHXKHGZMYVUQEL-UHFFFAOYSA-N 1 0 308.735 2.950 40 0 DEABRO O=C(NCCc1ccc(C2CCCCC2)cc1)[C@H]1C[NH2+]CCO1 ZINC000662620530 425695511 /nfs/dbraw/zinc/69/55/11/425695511.db2.gz LYYSXIYGPLBEEQ-GOSISDBHSA-N 1 0 316.445 2.381 40 0 DEABRO CC(C)C[NH+]1C[C@@H]2CN(C(=O)CCc3cccnc3)C[C@H]2C1 ZINC000096080993 273514795 /nfs/dbraw/zinc/51/47/95/273514795.db2.gz FORIBAIIFMTLPR-IAGOWNOFSA-N 1 0 301.434 2.060 40 0 DEABRO CN(C)C(=O)CO[C@H]1CCC2(CC[NH2+]CC2)c2ccccc21 ZINC000306140591 276753945 /nfs/dbraw/zinc/75/39/45/276753945.db2.gz UYJXMRQFZIFASK-INIZCTEOSA-N 1 0 302.418 2.248 40 0 DEABRO C[NH+]1CCC2(CC1)CN(C(=O)c1cnccn1)Cc1ccccc12 ZINC000096242389 277035582 /nfs/dbraw/zinc/03/55/82/277035582.db2.gz BYDVRYBGEPIYBR-UHFFFAOYSA-N 1 0 322.412 2.096 40 0 DEABRO CCC[NH+]1CCC2(CC1)NCc1cc(OC)c(OC)cc1C2=O ZINC000261508334 636485205 /nfs/dbraw/zinc/48/52/05/636485205.db2.gz RLVSDPKTLLLXMW-UHFFFAOYSA-N 1 0 318.417 2.234 40 0 DEABRO COc1cc(-c2nnc([C@H]([NH3+])C(C)C)[nH]2)cc(OC)c1OC ZINC000095534709 185379165 /nfs/dbraw/zinc/37/91/65/185379165.db2.gz XTJOIVYRTHGUNU-GFCCVEGCSA-N 1 0 306.366 2.153 40 0 DEABRO O=C(OCc1ccccc1)N(C[C@@H]1CC[N@@H+](CCO)C1)C1CC1 ZINC000079411250 185169882 /nfs/dbraw/zinc/16/98/82/185169882.db2.gz SAYFEELLMPJZDY-MRXNPFEDSA-N 1 0 318.417 2.102 40 0 DEABRO O=C(OCc1ccccc1)N(C[C@@H]1CCC[N@H+]1CCO)C1CC1 ZINC000079411239 185169919 /nfs/dbraw/zinc/16/99/19/185169919.db2.gz HSAXWQNGUQXTID-KRWDZBQOSA-N 1 0 318.417 2.244 40 0 DEABRO C[n+]1c2ccccc2c(=O)n2c1[C@H]1Nc3ccccc3[C@H]1CC2 ZINC000090733847 185311636 /nfs/dbraw/zinc/31/16/36/185311636.db2.gz KFASAPQSLORVRQ-DYVFJYSZSA-N 1 0 304.373 2.480 40 0 biogenic,in-vitro DEABRO COc1ccccc1Nc1nc2nonc2nc1-n1ccnc1C ZINC000013233669 539328436 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Cc1noc(C2(C)CCN(C(=O)[C@]3(C)CCCC[N@H+]3C)CC2)n1 ZINC000072367346 191137473 /nfs/dbraw/zinc/13/74/73/191137473.db2.gz GZRFZXQDGCQCDD-KRWDZBQOSA-N 1 0 320.437 2.133 40 0 DEABRO C[NH+]1CCC2(CC1)CN(C(=O)C1CC1)Cc1ccccc1O2 ZINC000072394140 191149266 /nfs/dbraw/zinc/14/92/66/191149266.db2.gz BBZBBOYBUNBOAU-UHFFFAOYSA-N 1 0 300.402 2.282 40 0 DEABRO COc1ccc(NC(=O)[C@H](C)SC2=[NH+]CCN2)cc1Cl ZINC000001792183 180896761 /nfs/dbraw/zinc/89/67/61/180896761.db2.gz QZDDPXIJCWTOCB-QMMMGPOBSA-N 1 0 313.810 2.368 40 0 DEABRO Cc1cnc(NC(=O)CN2CCC([NH+]3CCCCC3)CC2)s1 ZINC000004451231 181110009 /nfs/dbraw/zinc/11/00/09/181110009.db2.gz GKGVVFUPHUDLCV-UHFFFAOYSA-N 1 0 322.478 2.340 40 0 DEABRO O=C1CC[C@@]2(CCC[N@H+](Cc3cccnc3)CC2)N1CCF ZINC000585100769 357332796 /nfs/dbraw/zinc/33/27/96/357332796.db2.gz VZUPRJRGDZBCDS-QGZVFWFLSA-N 1 0 305.397 2.398 40 0 DEABRO CC[C@H](C)[N@@H+]1CCC[C@@]2(CCC(=O)N2CC(=O)NC(C)C)CC1 ZINC000585100775 357333460 /nfs/dbraw/zinc/33/34/60/357333460.db2.gz 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COc1ccc(C[NH+]2CCC3(CC2)OCCC[C@@H]3O)c(OC)c1 ZINC000257283508 203011914 /nfs/dbraw/zinc/01/19/14/203011914.db2.gz OYQGUNRJUBPGSK-KRWDZBQOSA-N 1 0 321.417 2.210 40 0 DEABRO CCN(C(=O)c1coc(C)n1)[C@H]1CCOC2(CC[NH+](C)CC2)C1 ZINC000257331472 203054828 /nfs/dbraw/zinc/05/48/28/203054828.db2.gz XSZVGBZJZLNELR-AWEZNQCLSA-N 1 0 321.421 2.089 40 0 DEABRO Cc1nc(N)sc1C(=O)N1[C@H]2C[C@@]3(C)[C@@H]1CCCC[C@H]3[NH2+]C2 ZINC000257316517 203041482 /nfs/dbraw/zinc/04/14/82/203041482.db2.gz VFYGKCVKKWCNEE-MEQWQQMJSA-N 1 0 320.462 2.169 40 0 DEABRO NC(=O)C[NH+]1CCC2(CO[C@H](Cc3ccccc3Cl)C2)CC1 ZINC000257321503 203044549 /nfs/dbraw/zinc/04/45/49/203044549.db2.gz WBXZBQLZGBTTCH-CQSZACIVSA-N 1 0 322.836 2.239 40 0 DEABRO COC(=O)c1ccc(C)c(NC(=S)NCCC[NH+](C)C)c1 ZINC000007065274 181437432 /nfs/dbraw/zinc/43/74/32/181437432.db2.gz NFJFGGQWRYJTCP-UHFFFAOYSA-N 1 0 309.435 2.020 40 0 DEABRO O=C1N[C@]2(CC[N@H+](Cc3cccnc3)C2)CCc2ccccc21 ZINC000019375265 182120554 /nfs/dbraw/zinc/12/05/54/182120554.db2.gz KGEWKUKUOBNFPO-IBGZPJMESA-N 1 0 307.397 2.402 40 0 DEABRO COc1ccc(C)cc1NC(=O)COc1ccc(C[NH3+])cc1 ZINC000020027556 182181021 /nfs/dbraw/zinc/18/10/21/182181021.db2.gz AMMCZFKYAKAODC-UHFFFAOYSA-N 1 0 300.358 2.480 40 0 DEABRO CC1CC[NH+](Cc2ccc(C(=O)N3CCN(C)CC3)cc2)CC1 ZINC000020105808 182186597 /nfs/dbraw/zinc/18/65/97/182186597.db2.gz YJONUQXOPFCXKI-UHFFFAOYSA-N 1 0 315.461 2.306 40 0 DEABRO CC(C)(CCCCC(C)(C)NC1=NCCO1)NC1=NCCO1 ZINC000001638854 401709222 /nfs/dbraw/zinc/70/92/22/401709222.db2.gz ZOXHZXACHGARII-UHFFFAOYSA-N 1 0 310.442 2.056 40 0 DEABRO COc1ccc([C@@H]([NH2+]CCO)[C@@H](O)c2ccc(OC)cc2)cc1 ZINC000001668852 401709609 /nfs/dbraw/zinc/70/96/09/401709609.db2.gz PDPNQUZPEWAQHI-MSOLQXFVSA-N 1 0 317.385 2.060 40 0 DEABRO CC[NH+](CC)CCOC(=O)[C@](O)(c1ccco1)c1ccccc1 ZINC000001691667 401709613 /nfs/dbraw/zinc/70/96/13/401709613.db2.gz RRBIZLNORNLNKP-GOSISDBHSA-N 1 0 317.385 2.401 40 0 DEABRO COc1ccc(NC(=S)NC2CC[NH+](C)CC2)c(OC)c1 ZINC000013775578 401804728 /nfs/dbraw/zinc/80/47/28/401804728.db2.gz OVBRTXCONKMOHW-UHFFFAOYSA-N 1 0 309.435 2.084 40 0 DEABRO COC(=O)c1ccc(NC(=S)NC[C@@H]2CCC[N@H+](C)C2)cc1 ZINC000009876376 401766028 /nfs/dbraw/zinc/76/60/28/401766028.db2.gz HWKDHDWBUVOWEY-LBPRGKRZSA-N 1 0 321.446 2.101 40 0 DEABRO S=C(NCCC[NH+]1CCCC1)Nc1ccc2c(c1)OCCO2 ZINC000017452342 401820769 /nfs/dbraw/zinc/82/07/69/401820769.db2.gz BWRAEYCOYOBSLB-UHFFFAOYSA-N 1 0 321.446 2.230 40 0 DEABRO Cc1cc(C[N@@H+]2CCc3nc(C)[nH]c(=O)c3CC2)c(C)s1 ZINC000019567985 401822481 /nfs/dbraw/zinc/82/24/81/401822481.db2.gz YKTHASASWLOQJS-UHFFFAOYSA-N 1 0 303.431 2.357 40 0 DEABRO O=C(C[N@@H+]1CCC[C@@H]1Cn1cccn1)N1CCCc2ccccc21 ZINC000019659176 401823085 /nfs/dbraw/zinc/82/30/85/401823085.db2.gz FGOMRTNZDUUSFV-QGZVFWFLSA-N 1 0 324.428 2.327 40 0 DEABRO CNC(=S)N1CCCC2=C[C@H]3C[C@H](C[N@@H+]4CCCC[C@H]34)[C@@H]21 ZINC000035883118 401901529 /nfs/dbraw/zinc/90/15/29/401901529.db2.gz AVNJZKYCMSPOEY-ZJIFWQFVSA-N 1 0 305.491 2.386 40 0 DEABRO C(OC[C@@H]1CC2(CO1)CC[NH+](C1CCOCC1)CC2)C1CC1 ZINC000096106022 402059251 /nfs/dbraw/zinc/05/92/51/402059251.db2.gz VANFZJZIHDTNJH-KRWDZBQOSA-N 1 0 309.450 2.463 40 0 DEABRO Cc1ccnc(OC[C@@]23CCO[C@@H]2CC[N@H+](CC2CC2)C3)n1 ZINC000096110463 402060395 /nfs/dbraw/zinc/06/03/95/402060395.db2.gz PCWYISNTVDPUCK-WBVHZDCISA-N 1 0 303.406 2.055 40 0 DEABRO C[NH+](C)[C@H]1CCO[C@]2(CCN(C(=O)Cc3ccc(F)cc3)C2)C1 ZINC000096110901 402060522 /nfs/dbraw/zinc/06/05/22/402060522.db2.gz PBQFFIQEPYZFSG-FUHWJXTLSA-N 1 0 320.408 2.080 40 0 DEABRO O=C(NC1CCC1)[C@@H]1C[N@H+](Cc2ccsc2)C[C@H]2OCC[C@H]21 ZINC000096038876 402048149 /nfs/dbraw/zinc/04/81/49/402048149.db2.gz QQPQWVLRSBAZTG-ARFHVFGLSA-N 1 0 320.458 2.254 40 0 DEABRO O=C(NCc1ccco1)[C@@H]1C[N@@H+](C2CCCC2)C[C@H]2OCC[C@H]21 ZINC000096038903 402048354 /nfs/dbraw/zinc/04/83/54/402048354.db2.gz AKLAQPFNVBGAQY-GVDBMIGSSA-N 1 0 318.417 2.175 40 0 DEABRO c1csc(CN2C[C@@H](Oc3cccnc3)[C@H]3OCCC[C@H]32)n1 ZINC000096042424 402048752 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ZINC000003893506 181052773 /nfs/dbraw/zinc/05/27/73/181052773.db2.gz CLFCNMVBIRZSGE-KGLIPLIRSA-N 1 0 309.406 2.318 40 0 DEABRO CC1(C)[C@@]2(C)CC[C@]1(C(=O)NCC[NH+]1CCCCC1)CC2=O ZINC000004197202 181084608 /nfs/dbraw/zinc/08/46/08/181084608.db2.gz XJAIXLYFCYJXRN-ZWKOTPCHSA-N 1 0 306.450 2.374 40 0 DEABRO CC[NH+](CC)CCNC(=O)Nc1c[nH]c2ccc(F)cc2c1=O ZINC000004907943 181171252 /nfs/dbraw/zinc/17/12/52/181171252.db2.gz HPQVNANFPZSWOO-UHFFFAOYSA-N 1 0 320.368 2.131 40 0 DEABRO CCn1cc(C[N@@H+]2CCC[C@]3(CCC(=O)N3CC)CC2)cn1 ZINC000585100622 357333346 /nfs/dbraw/zinc/33/33/46/357333346.db2.gz QHLILJIPKUFIQU-KRWDZBQOSA-N 1 0 304.438 2.270 40 0 DEABRO CC(C)CN1C[C@@]2(CC1=O)COCC[N@H+](Cc1ccccc1)C2 ZINC000585104681 357334319 /nfs/dbraw/zinc/33/43/19/357334319.db2.gz QXFFOKDAXCMJAO-IBGZPJMESA-N 1 0 316.445 2.394 40 0 DEABRO CNC(=O)c1cccc([C@@H]2C[NH2+]CCN2Cc2cccs2)c1 ZINC000585182271 357339915 /nfs/dbraw/zinc/33/99/15/357339915.db2.gz LMPPDDDKERCWBQ-INIZCTEOSA-N 1 0 315.442 2.254 40 0 DEABRO CNC(=O)c1cccc([C@H]2C[NH2+]CCN2Cc2cccs2)c1 ZINC000585182272 357340079 /nfs/dbraw/zinc/34/00/79/357340079.db2.gz LMPPDDDKERCWBQ-MRXNPFEDSA-N 1 0 315.442 2.254 40 0 DEABRO O[C@H]1CC[N@@H+](C2CCC2)C[C@]1(O)COc1cccc(Cl)c1 ZINC000585282749 357344228 /nfs/dbraw/zinc/34/42/28/357344228.db2.gz NKTWXJZUVQEPGF-HOTGVXAUSA-N 1 0 311.809 2.069 40 0 DEABRO O[C@@H]1[C@@H](C[NH2+]C2CCOCC2)CC[C@H]1Oc1ccc(F)cc1 ZINC000585287203 357344680 /nfs/dbraw/zinc/34/46/80/357344680.db2.gz UHYPRRTYTAVMKU-CSMYWGQOSA-N 1 0 309.381 2.113 40 0 DEABRO COc1cc(NC2CC[NH+](CC3(O)CCC3)CC2)cc(OC)c1 ZINC000675124742 541291067 /nfs/dbraw/zinc/29/10/67/541291067.db2.gz BEKKYRXJZBFORS-UHFFFAOYSA-N 1 0 320.433 2.495 40 0 DEABRO Cn1ccc(C(=O)N2C[C@@H](c3ccccc3)[C@@H]3[NH2+]CCCC[C@@H]32)n1 ZINC000257200430 202937478 /nfs/dbraw/zinc/93/74/78/202937478.db2.gz ADHKVSVIVSVYPH-SZMVWBNQSA-N 1 0 324.428 2.170 40 0 DEABRO COc1ccccc1CC(=O)N1CCCC[C@H]2C[NH2+]CC[C@H]21 ZINC000257298938 203024046 /nfs/dbraw/zinc/02/40/46/203024046.db2.gz RNZKIHFMQZVLPU-JKSUJKDBSA-N 1 0 302.418 2.228 40 0 DEABRO C[NH+](C)Cc1cnn(-c2ccccc2C(=O)NCc2ccco2)c1 ZINC000257309273 203034540 /nfs/dbraw/zinc/03/45/40/203034540.db2.gz UAHLYXRHDCVKGW-UHFFFAOYSA-N 1 0 324.384 2.457 40 0 DEABRO O=C(Cn1cccn1)N1[C@@H](c2ccccc2)C[C@@H]2[NH2+]CCCC[C@H]21 ZINC000257281882 203011214 /nfs/dbraw/zinc/01/12/14/203011214.db2.gz ORIJZAGNPQBGBD-RCCFBDPRSA-N 1 0 324.428 2.367 40 0 DEABRO Cc1cccc2nc(C(=O)N3CCC[C@]4(C)[NH2+]CCC[C@@H]34)cn21 ZINC000257293044 203017714 /nfs/dbraw/zinc/01/77/14/203017714.db2.gz QNXPDMKVOIGVGF-QAPCUYQASA-N 1 0 312.417 2.389 40 0 DEABRO O[C@@H]1CCCOC12CC[NH+](CC1=Cc3ccccc3OC1)CC2 ZINC000257332405 203054815 /nfs/dbraw/zinc/05/48/15/203054815.db2.gz XXFJBGWFSMSZMG-GOSISDBHSA-N 1 0 315.413 2.468 40 0 DEABRO OCCOc1cccc(CN2CC[NH2+]C[C@H]2c2ccccc2)c1 ZINC000257312782 203036045 /nfs/dbraw/zinc/03/60/45/203036045.db2.gz UPLUOAGHYODHFC-IBGZPJMESA-N 1 0 312.413 2.204 40 0 DEABRO COC[C@@H]1C[N@H+](C)C[C@@]12CCN(C(=O)c1ccccc1C)C2 ZINC000096217974 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CCOc1cc2c(cc1CN1C[C@@H]3CCC[N@@H+]3C[C@H]1C)OCO2 ZINC000072324727 191123170 /nfs/dbraw/zinc/12/31/70/191123170.db2.gz AQHBQPOCPHUUKS-HIFRSBDPSA-N 1 0 318.417 2.483 40 0 DEABRO CC(C)CC(=O)N1Cc2ccnn2[C@@H](CC[NH+]2CCCC2)C1 ZINC000585112622 357335175 /nfs/dbraw/zinc/33/51/75/357335175.db2.gz UKPBVUWLYHCKTH-INIZCTEOSA-N 1 0 304.438 2.298 40 0 DEABRO CNC(=O)CC[C@@]1(O)CCC[N@H+](Cc2ccc3[nH]ccc3c2)C1 ZINC000585279406 357343447 /nfs/dbraw/zinc/34/34/47/357343447.db2.gz YUGPLCVQBLUZRB-SFHVURJKSA-N 1 0 315.417 2.021 40 0 DEABRO Cc1cccc(O[C@@H]2CCC[C@H](C[NH2+]Cc3cc[nH]n3)[C@H]2O)c1 ZINC000585286165 357345087 /nfs/dbraw/zinc/34/50/87/357345087.db2.gz JVEZESQDWCEQAO-ZTFGCOKTSA-N 1 0 315.417 2.416 40 0 DEABRO O[C@H]1CC[N@@H+](C2CCCCC2)C[C@]1(O)COc1ccc(F)cc1 ZINC000585282988 357345177 /nfs/dbraw/zinc/34/51/77/357345177.db2.gz OEBWEFVCLRSGRE-ROUUACIJSA-N 1 0 323.408 2.335 40 0 DEABRO COCCC(=O)N1C[C@@H](c2ccccc2)[C@@H]2[NH2+]CCCC[C@@H]21 ZINC000257299116 203022838 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Cn1cc([C@H]2COC3(C2)CC[NH+](CC2CCOCC2)CC3)cn1 ZINC000096047808 193501372 /nfs/dbraw/zinc/50/13/72/193501372.db2.gz FBLYCKWTYSDOCM-MRXNPFEDSA-N 1 0 319.449 2.185 40 0 DEABRO CC(C)(C)C(=O)NCC[NH+]1CCC(O)(c2ccc(F)cc2)CC1 ZINC000012326128 181751000 /nfs/dbraw/zinc/75/10/00/181751000.db2.gz UXFSQLAGVDRLGS-UHFFFAOYSA-N 1 0 322.424 2.271 40 0 DEABRO COC(=O)c1ccc(OC[C@H](O)C[NH+]2[C@@H](C)CCC[C@@H]2C)cc1 ZINC000012377860 181752973 /nfs/dbraw/zinc/75/29/73/181752973.db2.gz CUFRZKWDNHHNAV-OFQRWUPVSA-N 1 0 321.417 2.476 40 0 DEABRO Cc1ccnn1C[C@H](C)C(=O)N[C@H](C)C[NH+]1CCCCCC1 ZINC000019238334 182110841 /nfs/dbraw/zinc/11/08/41/182110841.db2.gz HBOOJLVCAFVFDF-LSDHHAIUSA-N 1 0 306.454 2.208 40 0 DEABRO CCC(=O)NCc1ccc(-c2cc(C[NH+](C)C)n(C)n2)cc1 ZINC000019499304 182125832 /nfs/dbraw/zinc/12/58/32/182125832.db2.gz FQLDUTOGGRBTBL-UHFFFAOYSA-N 1 0 300.406 2.175 40 0 DEABRO CC[N@@H+]1CCC[C@H]1CN(Cc1nccn1C)Cc1ccccn1 ZINC000019527182 182128161 /nfs/dbraw/zinc/12/81/61/182128161.db2.gz ARUMENPLZYFSKN-KRWDZBQOSA-N 1 0 313.449 2.302 40 0 DEABRO C[C@@H]1C[N@@H+]2C[C@H](O)C[C@H]2CN1Cc1ccccc1C(F)(F)F ZINC000019575294 182130973 /nfs/dbraw/zinc/13/09/73/182130973.db2.gz NEGDXXNUJDBBQV-KWCYVHTRSA-N 1 0 314.351 2.345 40 0 DEABRO COc1ccc(C[N@@H+](Cc2ccccn2)C[C@H](C)O)cc1OC ZINC000019456011 182123681 /nfs/dbraw/zinc/12/36/81/182123681.db2.gz KTZWJKYYBREFIE-AWEZNQCLSA-N 1 0 316.401 2.482 40 0 DEABRO C[C@@]1(O)CC[NH2+][C@@H](c2cccs2)[C@@H]1NC(=O)C1CCCC1 ZINC000514289001 257216182 /nfs/dbraw/zinc/21/61/82/257216182.db2.gz DYZBFBVMVHXLMI-OFQRWUPVSA-N 1 0 308.447 2.209 40 0 biogenic,in-vitro DEABRO Cc1n(C)c2ccccc2[n+]1C[C@@H](O)COc1ccc(F)cc1 ZINC000000316280 401694379 /nfs/dbraw/zinc/69/43/79/401694379.db2.gz DZFPQKNJTWSXRM-OAHLLOKOSA-N 1 0 315.368 2.353 40 0 DEABRO O=c1[nH]c2cc3c(cc2cc1C[NH2+]C1CCCC1)OCCO3 ZINC000013999201 401805721 /nfs/dbraw/zinc/80/57/21/401805721.db2.gz MLOLYKVOPURKCN-UHFFFAOYSA-N 1 0 300.358 2.332 40 0 DEABRO COCC[NH2+]Cc1cc(Br)c(OC)c(OC)c1 ZINC000008469040 401752803 /nfs/dbraw/zinc/75/28/03/401752803.db2.gz LYISUJAASRSZML-UHFFFAOYSA-N 1 0 304.184 2.202 40 0 DEABRO CC[C@H](C)NC(=O)Cn1cccc2cc([C@H]3CCC[NH2+]C3)nc1-2 ZINC000012241873 401782365 /nfs/dbraw/zinc/78/23/65/401782365.db2.gz VXABRGGIUDEMJK-ZFWWWQNUSA-N 1 0 314.433 2.370 40 0 DEABRO O=C1COC2(CC[NH+](CC3CC3)CC2)CN1c1ccccc1 ZINC000096049236 402051343 /nfs/dbraw/zinc/05/13/43/402051343.db2.gz SMHIAXQFNIAXDM-UHFFFAOYSA-N 1 0 300.402 2.294 40 0 DEABRO O=C(c1cscn1)N1CC[C@@H]2C[N@H+](Cc3ccco3)C[C@@H]2C1 ZINC000096054138 402052623 /nfs/dbraw/zinc/05/26/23/402052623.db2.gz INNXIFNAEPBVCL-CHWSQXEVSA-N 1 0 317.414 2.330 40 0 DEABRO COCCn1cc2c(n1)[C@H](C[NH2+]Cc1ccc(C)s1)OCC2 ZINC000096059699 402054450 /nfs/dbraw/zinc/05/44/50/402054450.db2.gz PDGLOZHKCOTALI-HNNXBMFYSA-N 1 0 321.446 2.303 40 0 DEABRO O=C1NC2(C[C@H]1c1cccnc1)CC[NH+](Cc1cccnc1)CC2 ZINC000096061387 402054659 /nfs/dbraw/zinc/05/46/59/402054659.db2.gz BXUQOZSPBBABMM-KRWDZBQOSA-N 1 0 322.412 2.115 40 0 DEABRO COC[C@H]1CCC2(CCN(C(=O)c3cccc(C)n3)CC2)[N@@H+]1C ZINC000096208282 402069764 /nfs/dbraw/zinc/06/97/64/402069764.db2.gz VWYLRUNOIGSZRN-OAHLLOKOSA-N 1 0 317.433 2.105 40 0 DEABRO Cc1ncsc1CN1C[C@@H]2COC[C@]2(C[NH+]2CCCCC2)C1 ZINC000096217422 402071588 /nfs/dbraw/zinc/07/15/88/402071588.db2.gz YKGIUSIFVDNIAY-WBVHZDCISA-N 1 0 321.490 2.386 40 0 DEABRO CN(C)C(=O)N[C@H]1COC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000096224808 402072309 /nfs/dbraw/zinc/07/23/09/402072309.db2.gz XFGYJVQBSHKLKL-MRXNPFEDSA-N 1 0 317.433 2.081 40 0 DEABRO O=C1N(c2cncnc2)CC[C@@]12CCC[N@H+](Cc1ccoc1)C2 ZINC000096224559 402072813 /nfs/dbraw/zinc/07/28/13/402072813.db2.gz MPTWUUCPSQWPCT-QGZVFWFLSA-N 1 0 312.373 2.089 40 0 DEABRO Cc1ccc(N2C[C@@]3(CC[N@@H+](Cc4cncn4C)C3)CC2=O)cc1 ZINC000096238483 402073269 /nfs/dbraw/zinc/07/32/69/402073269.db2.gz RHHJFAPJMTZUAV-IBGZPJMESA-N 1 0 324.428 2.358 40 0 DEABRO Cc1cccc(C[N@@H+]2CC[C@@]3(CCN(c4cccnc4)C3=O)C2)n1 ZINC000096159513 402063487 /nfs/dbraw/zinc/06/34/87/402063487.db2.gz OTTZLVYVZNLZSO-LJQANCHMSA-N 1 0 322.412 2.414 40 0 DEABRO CC(C)[N@H+](C)Cc1cnc2n1CCN(Cc1nccs1)C2 ZINC000096201055 402067954 /nfs/dbraw/zinc/06/79/54/402067954.db2.gz RZHCHPVDEINICE-UHFFFAOYSA-N 1 0 305.451 2.196 40 0 DEABRO O=C1N(Cc2cccnc2)CC12CC[NH+](Cc1ccoc1)CC2 ZINC000096202866 402068791 /nfs/dbraw/zinc/06/87/91/402068791.db2.gz GGUHHLOBPMSYOJ-UHFFFAOYSA-N 1 0 311.385 2.299 40 0 DEABRO O=C1N(Cc2cccnc2)CC12CC[NH+](Cc1cccnc1)CC2 ZINC000096202872 402068866 /nfs/dbraw/zinc/06/88/66/402068866.db2.gz MSPQPRQKYAIRTR-UHFFFAOYSA-N 1 0 322.412 2.101 40 0 DEABRO Cn1cc(CN2CC[C@]3(c4ccccc4)CC[N@H+](C)[C@H]3C2)cn1 ZINC000107755594 402239621 /nfs/dbraw/zinc/23/96/21/402239621.db2.gz KIKDBKSXYHFZDL-OALUTQOASA-N 1 0 310.445 2.268 40 0 DEABRO Cc1ncc(C[N@@H+]2CCC3(CC(Nc4ncccn4)C3)C2)cn1 ZINC000108525605 402255794 /nfs/dbraw/zinc/25/57/94/402255794.db2.gz UMIIBBYLJMUZKU-UHFFFAOYSA-N 1 0 310.405 2.042 40 0 DEABRO Cc1ncc(C[N@H+]2CC[C@]3(CCC[C@@H]3C(=O)NC(C)C)C2)cn1 ZINC000108530997 402256273 /nfs/dbraw/zinc/25/62/73/402256273.db2.gz OQPOQXVHXIXFSI-SJLPKXTDSA-N 1 0 316.449 2.302 40 0 DEABRO CCOC(=O)c1ccc(N2CC[NH+](C)CC2)c(-n2cccc2)c1 ZINC000226245674 402326547 /nfs/dbraw/zinc/32/65/47/402326547.db2.gz DIHVCGYOXFMVOG-UHFFFAOYSA-N 1 0 313.401 2.406 40 0 DEABRO CC[NH+]1CCN(c2ccc(C(=O)OC)cc2-n2cccc2)CC1 ZINC000226245694 402326679 /nfs/dbraw/zinc/32/66/79/402326679.db2.gz MEKUJSDNUGQUMU-UHFFFAOYSA-N 1 0 313.401 2.406 40 0 DEABRO C[NH+](C)Cc1cncc2c1CCN(C(=O)Cc1ccsc1)C2 ZINC000248105553 402582955 /nfs/dbraw/zinc/58/29/55/402582955.db2.gz IOTPVDPGWUYDPG-UHFFFAOYSA-N 1 0 315.442 2.332 40 0 DEABRO Cc1nc([C@@H]2CCC[N@@H+]2CC2CCOCC2)cc(N(C)C)n1 ZINC000257219532 402704501 /nfs/dbraw/zinc/70/45/01/402704501.db2.gz DHCMYBJCYJYPNN-INIZCTEOSA-N 1 0 304.438 2.415 40 0 DEABRO C[NH+](C)C[C@]1(O)CCN(C(=O)c2cc3ccccc3s2)C1 ZINC000257220531 402705180 /nfs/dbraw/zinc/70/51/80/402705180.db2.gz DLDDWLVQAPQHED-MRXNPFEDSA-N 1 0 304.415 2.040 40 0 DEABRO CCc1nc(C)c(C[NH+]2CCC3(CC2)OCCC[C@H]3OC)[nH]1 ZINC000257222416 402705203 /nfs/dbraw/zinc/70/52/03/402705203.db2.gz DTEYPLCUOFCMCJ-OAHLLOKOSA-N 1 0 307.438 2.441 40 0 DEABRO Cc1cc(C)n(CC(=O)N2CCCC[C@@H]3[N@H+](C)CCC[C@@]32C)n1 ZINC000257225355 402705374 /nfs/dbraw/zinc/70/53/74/402705374.db2.gz FFWISHQPLMZBRQ-WMZOPIPTSA-N 1 0 318.465 2.365 40 0 DEABRO [NH3+]Cc1cccc(-c2cccnc2C(=O)NC[C@H]2CCCO2)c1 ZINC000257267260 402710526 /nfs/dbraw/zinc/71/05/26/402710526.db2.gz MGORKCOZFURLCH-OAHLLOKOSA-N 1 0 311.385 2.116 40 0 DEABRO COc1ccccc1[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(C)=O ZINC000257204870 402702418 /nfs/dbraw/zinc/70/24/18/402702418.db2.gz AWQIGKWNHSYBCT-KRWDZBQOSA-N 1 0 318.417 2.079 40 0 DEABRO CC[N@@H+]1CCC[C@@H](NC(=O)N2CCOc3ccc(F)cc3C2)C1 ZINC000494393638 405688061 /nfs/dbraw/zinc/68/80/61/405688061.db2.gz PKDCNZXIWVVJFB-OAHLLOKOSA-N 1 0 321.396 2.214 40 0 DEABRO c1cc2n(n1)CC[C@H](COc1cnccn1)[N@@H+](C1CCCC1)C2 ZINC000585098163 405868129 /nfs/dbraw/zinc/86/81/29/405868129.db2.gz VJYVZEBIJAWMJN-MRXNPFEDSA-N 1 0 313.405 2.269 40 0 DEABRO Cc1nc(-c2cc3cc(C)ccc3nc2N2CC[NH2+]CC2)no1 ZINC000089261521 274835379 /nfs/dbraw/zinc/83/53/79/274835379.db2.gz JEYHQMSDWSQQDN-UHFFFAOYSA-N 1 0 309.373 2.311 40 0 DEABRO Cc1cnc2n1CCN(C)C21CC[NH+](Cc2cccnc2)CC1 ZINC000096037003 281644823 /nfs/dbraw/zinc/64/48/23/281644823.db2.gz JNUBCGKPOSZTHJ-UHFFFAOYSA-N 1 0 311.433 2.023 40 0 DEABRO O=C(C1=CCCC1)N1CC[C@]2(C1)C[C@@H]([NH+]1CCCC1)CCO2 ZINC000096209267 303539584 /nfs/dbraw/zinc/53/95/84/303539584.db2.gz VLEPDPREPHUDHM-FUHWJXTLSA-N 1 0 304.434 2.343 40 0 DEABRO COc1ccc(OC)c(CC(=O)Nc2ccc(C[NH3+])cc2)c1 ZINC000199826492 647353262 /nfs/dbraw/zinc/35/32/62/647353262.db2.gz OFTHLKWENVKOEB-UHFFFAOYSA-N 1 0 300.358 2.344 40 0 DEABRO C[S@](=O)CC[NH2+]Cc1ccc(-c2ccc3ncncc3c2)o1 ZINC001569989292 1065863282 /nfs/dbraw/zinc/86/32/82/1065863282.db2.gz HWUARCCFPXMNRY-QFIPXVFZSA-N 1 0 315.398 2.358 40 0 DEABRO CN(C[C@H]1CCCC[N@@H+]1CCO)C(=O)OCc1ccccc1 ZINC000079410977 185169801 /nfs/dbraw/zinc/16/98/01/185169801.db2.gz PCLLJSXFTFBYRJ-MRXNPFEDSA-N 1 0 306.406 2.102 40 0 DEABRO Cc1cccc(C[N@@H+]2C[C@H]3OC[C@H](CNc4ccccn4)[C@H]3C2)n1 ZINC000306133358 231088459 /nfs/dbraw/zinc/08/84/59/231088459.db2.gz MJNPRSZRHIDFND-CGTJXYLNSA-N 1 0 324.428 2.344 40 0 DEABRO C[N@@H+]1CCC[C@H](C(=O)N2CCN(c3cccc(Cl)c3)CC2)C1 ZINC000082315035 185175587 /nfs/dbraw/zinc/17/55/87/185175587.db2.gz UTKAGLPXHIMREX-AWEZNQCLSA-N 1 0 321.852 2.330 40 0 DEABRO c1nc(CC[C@@H]2CCCC[NH2+]2)cc(NCC2CCOCC2)n1 ZINC000072365440 191134210 /nfs/dbraw/zinc/13/42/10/191134210.db2.gz XOWVKOROTBDFFE-HNNXBMFYSA-N 1 0 304.438 2.390 40 0 DEABRO CNC(=O)CCc1cc([C@H]2CCC[N@@H+](C(C)C)C2)nc(C)n1 ZINC000072366385 191134951 /nfs/dbraw/zinc/13/49/51/191134951.db2.gz RLQCRMADURDZQD-AWEZNQCLSA-N 1 0 304.438 2.051 40 0 DEABRO COc1cccc(OC)c1OC[C@@H](O)C[N@@H+]1CCCC[C@@H]1C ZINC000003893507 181052848 /nfs/dbraw/zinc/05/28/48/181052848.db2.gz CLFCNMVBIRZSGE-KBPBESRZSA-N 1 0 309.406 2.318 40 0 DEABRO CC(=O)Nc1ccc(OC[C@@H](O)C[N@H+]2CCCC[C@@H]2C)cc1 ZINC000004280276 181092035 /nfs/dbraw/zinc/09/20/35/181092035.db2.gz CDVQOWBNNPSLBF-BBRMVZONSA-N 1 0 306.406 2.259 40 0 DEABRO COCC[NH2+][C@@H](C)C(=O)Nc1ccc(Br)cc1 ZINC000004388765 181106304 /nfs/dbraw/zinc/10/63/04/181106304.db2.gz ZFRGUTSPBPJDEE-VIFPVBQESA-N 1 0 301.184 2.012 40 0 DEABRO C[NH+](C)CC1CCC(NC(=O)c2ccc3n[nH]cc3c2)CC1 ZINC000119851979 355788704 /nfs/dbraw/zinc/78/87/04/355788704.db2.gz VEJGQESOSUAFNV-UHFFFAOYSA-N 1 0 300.406 2.413 40 0 DEABRO CCOC[C@@H]1CC[N@H+](C)C2(CN(Cc3scnc3C)C2)C1 ZINC000585102630 357333241 /nfs/dbraw/zinc/33/32/41/357333241.db2.gz CQKNDNAABWVGGH-CQSZACIVSA-N 1 0 309.479 2.384 40 0 DEABRO CC(C)C(=O)N1CCC2(C[N@H+](C)C[C@@H]2COCC2CC2)CC1 ZINC000585102774 357334105 /nfs/dbraw/zinc/33/41/05/357334105.db2.gz FGFDCARSCHRKLL-MRXNPFEDSA-N 1 0 308.466 2.239 40 0 DEABRO CC[C@H](C)[N@H+]1C[C@H]2c3ccccc3[C@@H](NC(=O)COC)[C@H]2C1 ZINC000585109689 357334995 /nfs/dbraw/zinc/33/49/95/357334995.db2.gz IQHYNNAEGFBQGR-VYSRMENRSA-N 1 0 302.418 2.318 40 0 DEABRO CCn1cc(C[N@@H+]2CC[C@@](O)(COc3ccc(C)cc3)C2)cn1 ZINC000585269437 357341306 /nfs/dbraw/zinc/34/13/06/357341306.db2.gz UHMTYPQZHOHUNR-SFHVURJKSA-N 1 0 315.417 2.227 40 0 DEABRO CO[C@]1(CCC(=O)N(C)C)CCC[N@H+](Cc2ccncc2C)C1 ZINC000585275272 357342493 /nfs/dbraw/zinc/34/24/93/357342493.db2.gz BOTIJEQOMHKHHF-SFHVURJKSA-N 1 0 319.449 2.239 40 0 DEABRO COc1ccc([C@H]2CN(c3cnccn3)[C@@H]3CC[NH2+]C[C@@H]32)cc1 ZINC000257213629 202951181 /nfs/dbraw/zinc/95/11/81/202951181.db2.gz CIKPMIMNIYFQJX-BRWVUGGUSA-N 1 0 310.401 2.067 40 0 DEABRO COCCC(=O)N1CCC[C@H]1c1cccc(C[NH+]2CCCC2)n1 ZINC000257273635 203001664 /nfs/dbraw/zinc/00/16/64/203001664.db2.gz NHMYGYZCSYRZHO-KRWDZBQOSA-N 1 0 317.433 2.377 40 0 DEABRO CNc1nccnc1C[C@H]1CCC[N@H+](Cc2cnc(C)nc2)C1 ZINC000257282895 203010000 /nfs/dbraw/zinc/01/00/00/203010000.db2.gz OVTJZTGSTIPMCR-CQSZACIVSA-N 1 0 312.421 2.071 40 0 DEABRO Cc1cc(N)cc([C@@H]2CN(C(=O)Cc3cccs3)CCO2)[nH+]1 ZINC000257293932 203018603 /nfs/dbraw/zinc/01/86/03/203018603.db2.gz QRTIJHOTCRSDMC-HNNXBMFYSA-N 1 0 317.414 2.176 40 0 DEABRO O=C1N(CC2CC2)CCC12CC[NH+](CC1CCOCC1)CC2 ZINC000096046886 193500023 /nfs/dbraw/zinc/50/00/23/193500023.db2.gz QWRCCFCLTVVBQI-UHFFFAOYSA-N 1 0 306.450 2.138 40 0 DEABRO Cc1ccnn1C[C@@H](C)C(=O)N[C@H](C)C[NH+]1CCCCCC1 ZINC000019238336 182111142 /nfs/dbraw/zinc/11/11/42/182111142.db2.gz HBOOJLVCAFVFDF-HUUCEWRRSA-N 1 0 306.454 2.208 40 0 DEABRO Cc1ccc(CN2C[C@@H](c3cn(C)c4cnccc34)[C@H]([NH3+])C2)o1 ZINC000019216644 182108361 /nfs/dbraw/zinc/10/83/61/182108361.db2.gz ZONAZTWVHROLQJ-DLBZAZTESA-N 1 0 310.401 2.401 40 0 DEABRO CC[C@@H](c1nnnn1C1CCCCC1)N1CC[NH+](CC)CC1 ZINC000019500616 182125808 /nfs/dbraw/zinc/12/58/08/182125808.db2.gz WOEXGRXAMDBOSN-HNNXBMFYSA-N 1 0 306.458 2.267 40 0 DEABRO CCC(CC)C(=O)N1CCC[C@H](c2ncc3c(n2)CC[NH2+]C3)C1 ZINC000019500153 182125919 /nfs/dbraw/zinc/12/59/19/182125919.db2.gz AJVKTIDYXQTDQG-AWEZNQCLSA-N 1 0 316.449 2.265 40 0 DEABRO Cc1nc(C2CC[NH+](CCc3ccccc3)CC2)ncc1C(N)=O ZINC000019766598 182144515 /nfs/dbraw/zinc/14/45/15/182144515.db2.gz HBVKMDMSHSSZHZ-UHFFFAOYSA-N 1 0 324.428 2.306 40 0 DEABRO C[C@@H]1CCC[N@H+](Cc2ccc(C(=O)N3CCOCC3)cc2)C1 ZINC000020458670 182220065 /nfs/dbraw/zinc/22/00/65/182220065.db2.gz XYWQHNIJFDSURP-OAHLLOKOSA-N 1 0 302.418 2.391 40 0 DEABRO CCOc1cc(/C=C/C(=O)NCCC[NH+](C)C)ccc1OC ZINC000301192938 257219208 /nfs/dbraw/zinc/21/92/08/257219208.db2.gz BLLPAYVVWSIGOD-CSKARUKUSA-N 1 0 306.406 2.175 40 0 DEABRO COC(=O)c1ccc(OC[C@@H](O)C[NH+]2[C@@H](C)CCC[C@@H]2C)cc1 ZINC000004279621 292014650 /nfs/dbraw/zinc/01/46/50/292014650.db2.gz CUFRZKWDNHHNAV-DZKIICNBSA-N 1 0 321.417 2.476 40 0 DEABRO N[C@@H](CC[NH2+]Cc1ccc(Cl)cc1)C(=O)N1CCCCC1 ZINC000013561228 401800576 /nfs/dbraw/zinc/80/05/76/401800576.db2.gz DNVZYSMOLXCOLY-HNNXBMFYSA-N 1 0 309.841 2.160 40 0 in-vivo DEABRO COc1ccc(NC(=S)NC[C@H]2CCC[N@H+](C)C2)c(OC)c1 ZINC000009876229 401766231 /nfs/dbraw/zinc/76/62/31/401766231.db2.gz GFSUWWXKWYOCMW-GFCCVEGCSA-N 1 0 323.462 2.332 40 0 DEABRO 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CC(C)(C)OC(=O)N1CCC[C@@H]1[C@@](O)(C[NH3+])c1ccccc1 ZINC000072207997 257128144 /nfs/dbraw/zinc/12/81/44/257128144.db2.gz DBFWNSCDJLQVOI-RHSMWYFYSA-N 1 0 306.406 2.232 40 0 DEABRO Brc1cncc(-c2nc([C@H]3CCC[NH2+]C3)no2)c1 ZINC000062256946 257128573 /nfs/dbraw/zinc/12/85/73/257128573.db2.gz RTMYWEGRNWQTOD-QMMMGPOBSA-N 1 0 309.167 2.361 40 0 DEABRO CC(C)(C)CC(=O)N[C@H]1[C@H](c2cccs2)[NH2+]CC[C@@]1(C)O ZINC000514289758 257215089 /nfs/dbraw/zinc/21/50/89/257215089.db2.gz DDDKDROEUFFAKQ-OFQRWUPVSA-N 1 0 310.463 2.455 40 0 biogenic,in-vitro DEABRO Cn1c[n+](C[C@@H](O)COc2ccc(F)cc2)c2ccccc21 ZINC000000316275 401694509 /nfs/dbraw/zinc/69/45/09/401694509.db2.gz MCTYKYCSXGFAFR-CQSZACIVSA-N 1 0 301.341 2.045 40 0 DEABRO COc1cccc(NC(=S)NC[C@H]2CCC[N@H+](C)C2)c1OC ZINC000009876559 401766306 /nfs/dbraw/zinc/76/63/06/401766306.db2.gz YEFZHVOUGJSOPY-GFCCVEGCSA-N 1 0 323.462 2.332 40 0 DEABRO O=C(Cn1c(C2CC[NH2+]CC2)cc2cccnc21)N1CCCC1 ZINC000012337663 401783644 /nfs/dbraw/zinc/78/36/44/401783644.db2.gz 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CC(C)C[N@@H+]1CC[C@@H]2[C@@H]1CCN2S(=O)(=O)Cc1ccccc1 ZINC000096184286 402065160 /nfs/dbraw/zinc/06/51/60/402065160.db2.gz AINPWNHTWKGBPX-DLBZAZTESA-N 1 0 322.474 2.321 40 0 DEABRO Cc1ccc(C[N@@H+]2CC[C@@H]3[C@@H]2CCN3C(=O)C2CCOCC2)o1 ZINC000096184713 402065192 /nfs/dbraw/zinc/06/51/92/402065192.db2.gz APERFMKYOVLKGX-DLBZAZTESA-N 1 0 318.417 2.190 40 0 DEABRO O=C(Cc1ccccc1)N1CCn2cc(C[NH+]3CCCC3)nc2C1 ZINC000096197228 402067557 /nfs/dbraw/zinc/06/75/57/402067557.db2.gz DYLJERQKBYBSAE-UHFFFAOYSA-N 1 0 324.428 2.064 40 0 DEABRO c1cnc2c(c1)C[N@H+](C1CCOCC1)CCN2Cc1ccncc1 ZINC000096198981 402068020 /nfs/dbraw/zinc/06/80/20/402068020.db2.gz IOTZPIBJSHDGOS-UHFFFAOYSA-N 1 0 324.428 2.478 40 0 DEABRO Cc1ccc(CN2CC[C@@H]([NH+](C)C)[C@@H]2Cc2cnn(C)c2)o1 ZINC000096200889 402068279 /nfs/dbraw/zinc/06/82/79/402068279.db2.gz KVPWAPGJPKWLGX-SJORKVTESA-N 1 0 302.422 2.069 40 0 DEABRO Cc1noc([C@H]2COC[C@H]3C[N@H+](Cc4scnc4C)C[C@H]32)n1 ZINC000097953530 402133584 /nfs/dbraw/zinc/13/35/84/402133584.db2.gz 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ZINC000257242125 402707506 /nfs/dbraw/zinc/70/75/06/402707506.db2.gz IBETUYZNYMTIDW-GOSISDBHSA-N 1 0 323.444 2.223 40 0 DEABRO C[NH+]1CCC(Cc2ccccc2)(C(=O)NCc2ccnnc2)CC1 ZINC000257291334 402711592 /nfs/dbraw/zinc/71/15/92/402711592.db2.gz QGNJTYWYVCZDCS-UHFFFAOYSA-N 1 0 324.428 2.048 40 0 DEABRO c1cc2n(n1)[C@H](CC[NH+]1CCCCC1)CN(C1CCOCC1)C2 ZINC000253588467 402669232 /nfs/dbraw/zinc/66/92/32/402669232.db2.gz DPUXDYPNKSFAIF-GOSISDBHSA-N 1 0 318.465 2.295 40 0 DEABRO c1ccc(NCC[C@H]2CCOC23C[NH+](C2CCOCC2)C3)nc1 ZINC000253596175 402669502 /nfs/dbraw/zinc/66/95/02/402669502.db2.gz OCEVGJWYDWDWKF-HNNXBMFYSA-N 1 0 317.433 2.154 40 0 DEABRO [NH3+]C1(Cc2cccc(C(F)(F)F)c2)CCS(=O)(=O)CC1 ZINC000255187696 402681164 /nfs/dbraw/zinc/68/11/64/402681164.db2.gz GENWGORAQWGXLC-UHFFFAOYSA-N 1 0 307.337 2.154 40 0 DEABRO CC(C)C1CCC([NH+]2CCN(C(=O)c3cn[nH]c3)CC2)CC1 ZINC000175506583 402812879 /nfs/dbraw/zinc/81/28/79/402812879.db2.gz IVZQHBANYCXORW-UHFFFAOYSA-N 1 0 304.438 2.382 40 0 DEABRO OCCCNc1nc(Nc2cccc(Cl)c2)cc(C2CC2)n1 ZINC000328966633 404183754 /nfs/dbraw/zinc/18/37/54/404183754.db2.gz CNAYXAKZFMIXAS-UHFFFAOYSA-N 1 0 318.808 2.389 40 0 DEABRO CC(C)[C@H](CO)Nc1nc(NCc2ccco2)cc(C2CC2)[nH+]1 ZINC000329011500 424902787 /nfs/dbraw/zinc/90/27/87/424902787.db2.gz MFSUUCZQHUBXRZ-HNNXBMFYSA-N 1 0 316.405 2.988 40 0 DEABRO CC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1c(C)cc(C)cc1C ZINC000006953157 276184431 /nfs/dbraw/zinc/18/44/31/276184431.db2.gz MXKPRAZZOWXVSW-HNNXBMFYSA-N 1 0 317.433 2.151 40 0 DEABRO CC[NH+](CC)[C@H]1CCO[C@]2(CCN(c3ncc(F)cn3)C2)C1 ZINC000096208153 276341281 /nfs/dbraw/zinc/34/12/81/276341281.db2.gz ASYWZJWGNDAVCL-GOEBONIOSA-N 1 0 308.401 2.085 40 0 DEABRO Cc1nccn1C[C@H](C)C(=O)N[C@@H](C)C[NH+]1CCCCCC1 ZINC000019287742 279173181 /nfs/dbraw/zinc/17/31/81/279173181.db2.gz ZFUQJLBEIJNEON-GJZGRUSLSA-N 1 0 306.454 2.208 40 0 DEABRO [NH3+]CCN1CCC[C@H]1CN(C(=O)OCc1ccccc1)C1CC1 ZINC000079391012 295233107 /nfs/dbraw/zinc/23/31/07/295233107.db2.gz UGTVLNRKHKRPJI-KRWDZBQOSA-N 1 0 317.433 2.211 40 0 DEABRO Cc1ccsc1C[NH+]1CCN(c2nccn3ccnc23)CC1 ZINC000306130276 534471161 /nfs/dbraw/zinc/47/11/61/534471161.db2.gz JAWOLZSZSZAPLG-UHFFFAOYSA-N 1 0 313.430 2.421 40 0 DEABRO CC(C)[N@H+](CCO)C[C@@H]1CCN(C(=O)OCc2ccccc2)C1 ZINC000079391706 185168348 /nfs/dbraw/zinc/16/83/48/185168348.db2.gz SASWAEPWNDFWPI-KRWDZBQOSA-N 1 0 320.433 2.348 40 0 DEABRO CC(C)[N@H+](CCO)C[C@H]1CCCN1C(=O)OCc1ccccc1 ZINC000079391704 185168374 /nfs/dbraw/zinc/16/83/74/185168374.db2.gz OYGRQARHVPQSKP-QGZVFWFLSA-N 1 0 320.433 2.490 40 0 DEABRO CCN(CC[NH3+])C[C@@H]1CCCN1C(=O)OCc1ccccc1 ZINC000079391777 185168524 /nfs/dbraw/zinc/16/85/24/185168524.db2.gz MLAIDEXCSDRSAA-INIZCTEOSA-N 1 0 305.422 2.068 40 0 DEABRO c1cn(-c2nccnc2[C@@H]2CCC[N@H+](C3CCOCC3)C2)cn1 ZINC000072350680 191128208 /nfs/dbraw/zinc/12/82/08/191128208.db2.gz YQPVETOZJFUQBO-CQSZACIVSA-N 1 0 313.405 2.021 40 0 DEABRO CCC[C@H](C)[N@@H+]1CCC[C@]2(CN(c3ccc(=O)n(C)c3)C2=O)C1 ZINC000585099605 357333224 /nfs/dbraw/zinc/33/32/24/357333224.db2.gz SGKQGSAUJFFMBK-KBXCAEBGSA-N 1 0 317.433 2.003 40 0 DEABRO CC(C)[N@@H+]1CCOC[C@]2(CC(=O)N(c3ccc(F)cc3)C2)C1 ZINC000585105008 357333928 /nfs/dbraw/zinc/33/39/28/357333928.db2.gz XTXCMCOKJVQYED-QGZVFWFLSA-N 1 0 306.381 2.289 40 0 DEABRO Cc1ccccc1C(=O)N1C[C@@H]([NH+](C)C)[C@H]2OCCC[C@H]2C1 ZINC000585108381 357335736 /nfs/dbraw/zinc/33/57/36/357335736.db2.gz CNRFHIQLBDZSJF-UAGQMJEPSA-N 1 0 302.418 2.176 40 0 DEABRO CNC(=O)c1sc2nccnc2c1[C@H]1CC[N@H+](CC2CC2)C1 ZINC000585182358 357340016 /nfs/dbraw/zinc/34/00/16/357340016.db2.gz DWDFGXWYMKEWCT-NSHDSACASA-N 1 0 316.430 2.250 40 0 DEABRO Cc1ccc(OC[C@]2(O)CC[N@H+](CC3CCOCC3)C2)cc1 ZINC000585269421 357340535 /nfs/dbraw/zinc/34/05/35/357340535.db2.gz STLQLOVJJOURCO-SFHVURJKSA-N 1 0 305.418 2.237 40 0 DEABRO O[C@@]1(COc2cccc(F)c2)COCC[N@@H+](C2CCCC2)C1 ZINC000585269329 357341100 /nfs/dbraw/zinc/34/11/00/357341100.db2.gz PHJMBSQVGSMRCG-QGZVFWFLSA-N 1 0 309.381 2.210 40 0 DEABRO Cc1n[nH]c(C)c1C[N@@H+]1CC[C@@](O)(COc2ccccc2C)C1 ZINC000585275484 357342401 /nfs/dbraw/zinc/34/24/01/357342401.db2.gz CQKQVESLXCOAHP-SFHVURJKSA-N 1 0 315.417 2.351 40 0 DEABRO Cc1n[nH]cc1C[N@@H+]1CC[C@@](O)(COc2cccc(C)c2)C1 ZINC000585274845 357342763 /nfs/dbraw/zinc/34/27/63/357342763.db2.gz PJIGRCWTAHKSQE-KRWDZBQOSA-N 1 0 301.390 2.042 40 0 DEABRO Cc1cc(C)c2[nH]c(=O)c(C[NH2+]C[C@H](O)COC(C)C)cc2c1 ZINC000585291799 357345865 /nfs/dbraw/zinc/34/58/65/357345865.db2.gz DDDFTYYSVWUPLD-INIZCTEOSA-N 1 0 318.417 2.433 40 0 DEABRO CO[C@@H]1COC[C@@H]([N@H+](C)Cc2ccc3ccccc3c2)[C@@H]1O ZINC000585292084 357345884 /nfs/dbraw/zinc/34/58/84/357345884.db2.gz WTXFRLBORXQFKO-KURKYZTESA-N 1 0 301.386 2.046 40 0 DEABRO O=C(c1cc2ccccc2s1)N1C[C@@H](O)[C@H]([NH+]2CCCC2)C1 ZINC000257316825 203041815 /nfs/dbraw/zinc/04/18/15/203041815.db2.gz VHDZCKHRPXBFEB-ZIAGYGMSSA-N 1 0 316.426 2.182 40 0 DEABRO Cc1ccnn1C[C@@H](C)C(=O)N[C@@H](C)C[NH+]1CCCCCC1 ZINC000019238335 182111245 /nfs/dbraw/zinc/11/12/45/182111245.db2.gz HBOOJLVCAFVFDF-CABCVRRESA-N 1 0 306.454 2.208 40 0 DEABRO CCn1cc(CN2C[C@@H]3CCC[N@@H+]3C[C@@H]2CCSC)cn1 ZINC000019524996 182128666 /nfs/dbraw/zinc/12/86/66/182128666.db2.gz GZRFNHZMKJFCEE-HOTGVXAUSA-N 1 0 308.495 2.305 40 0 DEABRO C[N@@H+]1CCC[C@H](c2ncc3c(n2)CCN(Cc2ccncc2)C3)C1 ZINC000019588696 182132310 /nfs/dbraw/zinc/13/23/10/182132310.db2.gz QAWKRTQTDNDLOD-INIZCTEOSA-N 1 0 323.444 2.239 40 0 DEABRO CC[NH+]1CCN(C[C@H](O)COc2ccccc2C(C)C)CC1 ZINC000022030731 182305650 /nfs/dbraw/zinc/30/56/50/182305650.db2.gz CFOGQCULUUWTQB-INIZCTEOSA-N 1 0 306.450 2.187 40 0 DEABRO O=C([C@H]1CCC[N@@H+](Cc2ccc(Cl)cc2)C1)N1CCOCC1 ZINC000038832729 183011671 /nfs/dbraw/zinc/01/16/71/183011671.db2.gz GHHQPNYGOUICDQ-HNNXBMFYSA-N 1 0 322.836 2.411 40 0 DEABRO CO[C@H](C[NH+]1CCN(c2ccnc(C)n2)CC1)c1ccccc1 ZINC000284465465 218038613 /nfs/dbraw/zinc/03/86/13/218038613.db2.gz SGCHJPYFIZDILY-QGZVFWFLSA-N 1 0 312.417 2.295 40 0 DEABRO CO[C@@H](C[NH+]1CCN(c2ccnc(C)n2)CC1)c1ccccc1 ZINC000284465452 218038638 /nfs/dbraw/zinc/03/86/38/218038638.db2.gz SGCHJPYFIZDILY-KRWDZBQOSA-N 1 0 312.417 2.295 40 0 DEABRO O=C1N[C@H](c2ccccc2)C12CC[NH+](CC1CCOCC1)CC2 ZINC000096080426 284921203 /nfs/dbraw/zinc/92/12/03/284921203.db2.gz JOLSGEMMSYZCPR-QGZVFWFLSA-N 1 0 314.429 2.366 40 0 DEABRO O=C1CC[C@@H]([NH2+]Cc2ccncc2)[C@H](c2cc(F)cc(F)c2)N1 ZINC000036740091 296325460 /nfs/dbraw/zinc/32/54/60/296325460.db2.gz BFSUBRLZRPXITQ-WBVHZDCISA-N 1 0 317.339 2.469 40 0 DEABRO C[NH+]1CCC(NC(=O)COc2ccc3c(c2)CCCC3)CC1 ZINC000157364487 197181853 /nfs/dbraw/zinc/18/18/53/197181853.db2.gz XACAHMKQQAUHDU-UHFFFAOYSA-N 1 0 302.418 2.155 40 0 DEABRO C[C@H]([NH3+])c1ccc(N2CCN(C(=O)OC(C)(C)C)CC2)nc1 ZINC000072225571 257123256 /nfs/dbraw/zinc/12/32/56/257123256.db2.gz XWAWZEZWBPDDPY-LBPRGKRZSA-N 1 0 306.410 2.158 40 0 DEABRO COc1cc(OC)c([C@@H](C[NH3+])N2CCC(C)CC2)c(OC)c1 ZINC000062712598 257128832 /nfs/dbraw/zinc/12/88/32/257128832.db2.gz UPDWQVLWJNOHCZ-CQSZACIVSA-N 1 0 308.422 2.444 40 0 DEABRO C[C@@]1(O)CC[NH2+][C@@H](c2cccs2)[C@@H]1NC(=O)c1ccccc1 ZINC000514289692 257215546 /nfs/dbraw/zinc/21/55/46/257215546.db2.gz BHMZADBTGRCRBW-YQQAZPJKSA-N 1 0 316.426 2.332 40 0 biogenic,in-vitro DEABRO COc1ccc([C@@H](O)[C@@H]([NH2+]CCO)c2ccc(OC)cc2)cc1 ZINC000001668849 401709554 /nfs/dbraw/zinc/70/95/54/401709554.db2.gz PDPNQUZPEWAQHI-ZWKOTPCHSA-N 1 0 317.385 2.060 40 0 DEABRO CC[NH+](CC)CCSCCCNC(=O)c1ccc(N)cc1 ZINC000001747151 401710570 /nfs/dbraw/zinc/71/05/70/401710570.db2.gz IMEZSBZUEDKWCI-UHFFFAOYSA-N 1 0 309.479 2.464 40 0 DEABRO c1c2c(cc3c1cc(C[NH2+]C1CCCC1)c1nnnn13)OCO2 ZINC000013998137 401805884 /nfs/dbraw/zinc/80/58/84/401805884.db2.gz GBFOKLDMBSHXBC-UHFFFAOYSA-N 1 0 311.345 2.038 40 0 DEABRO CCOCCC[NH2+]Cc1ccc(OCC(=O)NC(C)(C)C)cc1 ZINC000008253189 401750346 /nfs/dbraw/zinc/75/03/46/401750346.db2.gz CQOSZMPJQOLLAI-UHFFFAOYSA-N 1 0 322.449 2.496 40 0 DEABRO CC(=O)N1c2ccc([C@@H](O)C[NH+]3CCSCC3)cc2C[C@H]1C ZINC000012146819 401780527 /nfs/dbraw/zinc/78/05/27/401780527.db2.gz HAFCIMVXAGBSSN-PXAZEXFGSA-N 1 0 320.458 2.066 40 0 DEABRO O=C(NCCC[NH+]1CCCC1)c1ccc(Cn2ccnc2)cc1 ZINC000044913505 401950594 /nfs/dbraw/zinc/95/05/94/401950594.db2.gz ACJURXGIRAUKDC-UHFFFAOYSA-N 1 0 312.417 2.147 40 0 DEABRO c1c(-c2ccccc2)nc2n1C[C@H](C[NH2+]C1CCOCC1)OC2 ZINC000096112889 402060455 /nfs/dbraw/zinc/06/04/55/402060455.db2.gz MTBAQTIDYFEOBB-INIZCTEOSA-N 1 0 313.401 2.218 40 0 biogenic,in-vitro DEABRO Cc1ccc2nc3n(c2c1)[C@@H](C[NH2+]C1CCN(C)CC1)COC3 ZINC000096112828 402060577 /nfs/dbraw/zinc/06/05/77/402060577.db2.gz ONVGVCKUVQPAAW-HNNXBMFYSA-N 1 0 314.433 2.100 40 0 biogenic,in-vitro DEABRO O=C(NCc1cccs1)[C@@]12CCO[C@@H]1CC[N@H+](CC1CC1)C2 ZINC000096038798 402048169 /nfs/dbraw/zinc/04/81/69/402048169.db2.gz PMTXBFCGBZYQTG-NVXWUHKLSA-N 1 0 320.458 2.255 40 0 DEABRO c1ccc(O[C@@H]2C[N@@H+](CC3CCOCC3)[C@@H]3CCCO[C@H]23)nc1 ZINC000096042607 402049917 /nfs/dbraw/zinc/04/99/17/402049917.db2.gz RACTXDBLIGAEKP-NUJGCVRESA-N 1 0 318.417 2.119 40 0 DEABRO Cc1ccc(N[C@H]2CO[C@]3(C2)CCC[N@H+](CC2CC2)C3)nn1 ZINC000096048476 402050768 /nfs/dbraw/zinc/05/07/68/402050768.db2.gz OHVILCRBBWGLLA-WBVHZDCISA-N 1 0 302.422 2.230 40 0 DEABRO CN(C)C(=O)[C@@H]1C[C@]2(CO1)CCC[N@H+](Cc1cccs1)C2 ZINC000096048880 402050868 /nfs/dbraw/zinc/05/08/68/402050868.db2.gz OZCJGGOLIJLVBT-GOEBONIOSA-N 1 0 308.447 2.207 40 0 DEABRO O=C(c1cscn1)N1C[C@@H]2C[N@@H+](Cc3cccs3)C[C@@H]2C1 ZINC000096053922 402051516 /nfs/dbraw/zinc/05/15/16/402051516.db2.gz IJLOLRJWONVDFE-TXEJJXNPSA-N 1 0 319.455 2.409 40 0 DEABRO Cn1cc(N2CC[C@]3(CC[N@H+](Cc4cccs4)C3)C2=O)cn1 ZINC000096050509 402051838 /nfs/dbraw/zinc/05/18/38/402051838.db2.gz AMXFRGZCEVQULC-INIZCTEOSA-N 1 0 316.430 2.111 40 0 DEABRO COc1ccc(C[NH+]2C[C@H]3CN(c4ncccn4)C[C@@H]3C2)cc1 ZINC000096053995 402052656 /nfs/dbraw/zinc/05/26/56/402052656.db2.gz SSFPKVYRMINHME-HOTGVXAUSA-N 1 0 310.401 2.053 40 0 DEABRO O=C1CC[C@@H]2[C@@H](CC[N@@H+]2Cc2cccnc2)N1Cc1ccncc1 ZINC000096056602 402052692 /nfs/dbraw/zinc/05/26/92/402052692.db2.gz VNLSORDMNFQXMK-QZTJIDSGSA-N 1 0 322.412 2.242 40 0 DEABRO Cc1cccc(CN2C(=O)C[C@@H]3[C@@H]2CC[N@@H+]3Cc2ccoc2)n1 ZINC000096055760 402052906 /nfs/dbraw/zinc/05/29/06/402052906.db2.gz CPKIDVARYAFFSX-DLBZAZTESA-N 1 0 311.385 2.358 40 0 DEABRO CCOC[C@H]1C[N@H+](CC2CCOCC2)Cc2cn(CC)nc21 ZINC000096059925 402054320 /nfs/dbraw/zinc/05/43/20/402054320.db2.gz XQFQVBBLXBHYPM-MRXNPFEDSA-N 1 0 307.438 2.265 40 0 DEABRO COCCn1c(=O)ccc2c1CC[C@H]([NH2+]Cc1cccs1)C2 ZINC000096059343 402054389 /nfs/dbraw/zinc/05/43/89/402054389.db2.gz TVBUZKMAPJIKOT-AWEZNQCLSA-N 1 0 318.442 2.203 40 0 DEABRO O=C1NC2(C[C@@H]1c1cccnc1)CC[NH+](Cc1cccnc1)CC2 ZINC000096061386 402054998 /nfs/dbraw/zinc/05/49/98/402054998.db2.gz BXUQOZSPBBABMM-QGZVFWFLSA-N 1 0 322.412 2.115 40 0 DEABRO c1ccc(C[N@@H+]2CC[C@]3(C[C@H](Nc4ncccn4)CO3)C2)cc1 ZINC000096219343 402071077 /nfs/dbraw/zinc/07/10/77/402071077.db2.gz RDRFNLKMUOMENY-WMZOPIPTSA-N 1 0 310.401 2.322 40 0 DEABRO c1ccc(C[N@@H+]2CC[C@]3(C[C@H](Nc4cnccn4)CO3)C2)cc1 ZINC000096219416 402071339 /nfs/dbraw/zinc/07/13/39/402071339.db2.gz BLLLVAZJEIVAGU-WMZOPIPTSA-N 1 0 310.401 2.322 40 0 DEABRO Fc1cnc(N[C@@H]2CO[C@]3(CC[N@H+](Cc4ccco4)C3)C2)nc1 ZINC000096219593 402071525 /nfs/dbraw/zinc/07/15/25/402071525.db2.gz YAIUFCVOWDLUER-XJKSGUPXSA-N 1 0 318.352 2.054 40 0 DEABRO Cc1cccc(CN2C[C@@H]3C[N@@H+](C4CCOCC4)C[C@@H]3C2=O)c1 ZINC000096245282 402073819 /nfs/dbraw/zinc/07/38/19/402073819.db2.gz PWFIHTCYOQPYEE-WMZOPIPTSA-N 1 0 314.429 2.064 40 0 DEABRO O=C1[C@H]2C[N@H+](Cc3cccs3)C[C@@H]2CCN1c1cncnc1 ZINC000096249134 402073992 /nfs/dbraw/zinc/07/39/92/402073992.db2.gz BCGUPGZQNHEYLQ-WFASDCNBSA-N 1 0 314.414 2.023 40 0 DEABRO CC[C@H]([C@@H]([NH3+])c1ccc(Br)cc1)S(C)(=O)=O ZINC000096524862 402098260 /nfs/dbraw/zinc/09/82/60/402098260.db2.gz CMAONDQEWJWNJQ-MNOVXSKESA-N 1 0 306.225 2.272 40 0 DEABRO Cn1cccc1C[N@@H+]1CC[C@]2(CCN(Cc3cccnc3)C2=O)C1 ZINC000096159406 402063348 /nfs/dbraw/zinc/06/33/48/402063348.db2.gz QOPIJJYZFGSIOC-IBGZPJMESA-N 1 0 324.428 2.045 40 0 DEABRO c1ccc(C[N@@H+]2CCC[C@@]3(CCN(c4ncccn4)C3)C2)nc1 ZINC000096158049 402063418 /nfs/dbraw/zinc/06/34/18/402063418.db2.gz ZPCGWEJPGXWRSL-GOSISDBHSA-N 1 0 309.417 2.364 40 0 DEABRO c1ccc(C[N@@H+]2CCOC3(CCN(c4ncccn4)CC3)C2)cc1 ZINC000096158814 402063538 /nfs/dbraw/zinc/06/35/38/402063538.db2.gz OBVURVUNRMHWJQ-UHFFFAOYSA-N 1 0 324.428 2.348 40 0 DEABRO c1ccc(C[N@@H+]2CCC3(C2)CCN(c2ncccn2)CC3)nc1 ZINC000096157681 402063566 /nfs/dbraw/zinc/06/35/66/402063566.db2.gz KMOFLFWBOMIPOY-UHFFFAOYSA-N 1 0 309.417 2.364 40 0 DEABRO Fc1cccc(CN2C[C@@H]3C[N@H+](C4CCOCC4)C[C@@H]3C2)c1 ZINC000096161710 402064111 /nfs/dbraw/zinc/06/41/11/402064111.db2.gz OHBAZHFPOZUHPA-IYBDPMFKSA-N 1 0 304.409 2.368 40 0 DEABRO CCc1cnc(N2C[C@@H]3C[N@@H+](Cc4ccccn4)C[C@@H]3C2)nc1 ZINC000096161580 402064288 /nfs/dbraw/zinc/06/42/88/402064288.db2.gz OMAUWLVDWMRKQI-IYBDPMFKSA-N 1 0 309.417 2.002 40 0 DEABRO Cc1occc1C(=O)N1CC[C@@H]([NH+](C)C)[C@@H]1Cc1ccncc1 ZINC000096200988 402068065 /nfs/dbraw/zinc/06/80/65/402068065.db2.gz IULPBHPBMQZSIH-SJORKVTESA-N 1 0 313.401 2.370 40 0 DEABRO C[NH+](C)[C@@H]1CCN(C(=O)NC2CCCC2)[C@H]1Cc1ccncc1 ZINC000096201012 402068116 /nfs/dbraw/zinc/06/81/16/402068116.db2.gz WSPIDHGHEFANHR-SJORKVTESA-N 1 0 316.449 2.281 40 0 DEABRO S=C(NCCC[NH+]1CCCC1)Nc1ccc2c(c1)OCO2 ZINC000225433071 402317085 /nfs/dbraw/zinc/31/70/85/402317085.db2.gz PVNNZOOIZBDSGL-UHFFFAOYSA-N 1 0 307.419 2.188 40 0 DEABRO Cc1cc(C)n(CC(=O)N2C[C@@H]3C[C@@]4(C)[C@H](CCCC[C@@H]24)[NH2+]3)n1 ZINC000257239477 402707291 /nfs/dbraw/zinc/70/72/91/402707291.db2.gz HPKDGHYAJQGQGQ-CUSZFKRNSA-N 1 0 316.449 2.022 40 0 DEABRO Cc1nc(Nc2ccc(F)c(F)c2)cc([C@H]2C[NH2+]CCO2)n1 ZINC000257242221 402707337 /nfs/dbraw/zinc/70/73/37/402707337.db2.gz IBOLJNNJLVWJBG-CQSZACIVSA-N 1 0 306.316 2.468 40 0 DEABRO CC(C)([NH3+])C(=O)N1CCC2(CO[C@H](Cc3ccccc3)C2)CC1 ZINC000257266989 402710748 /nfs/dbraw/zinc/71/07/48/402710748.db2.gz MFKSWRHHXXINJJ-MRXNPFEDSA-N 1 0 316.445 2.364 40 0 DEABRO CCc1[nH]nc(C(=O)N2C[C@@H]3C[C@@]4(C)[C@H](CCC[C@@H]24)[N@@H+]3C)c1C ZINC000257204253 402702258 /nfs/dbraw/zinc/70/22/58/402702258.db2.gz ATRZQAZCWLRNGO-FRQROOTJSA-N 1 0 316.449 2.368 40 0 DEABRO Cc1ncc2c(n1)[C@]1(CC[N@H+](C[C@H]3C[C@@H]4C=C[C@H]3C4)C1)COC2 ZINC000306132486 403950938 /nfs/dbraw/zinc/95/09/38/403950938.db2.gz LKRKJFLPKCDCOQ-OLMMMNRUSA-N 1 0 311.429 2.471 40 0 DEABRO Cc1c[nH]nc1[C@@H]1CCN(C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC000257200510 424888965 /nfs/dbraw/zinc/88/89/65/424888965.db2.gz ADPSANIWSHOVEG-MRXNPFEDSA-N 1 0 312.417 2.409 40 0 DEABRO C[NH+]1CCC(n2ncc3c(Br)cccc3c2=O)CC1 ZINC000095097288 273872018 /nfs/dbraw/zinc/87/20/18/273872018.db2.gz DMTZLWYCTZDERR-UHFFFAOYSA-N 1 0 322.206 2.426 40 0 DEABRO O=C1c2cccn2[C@H]2C[N@@H+](CC3CC3)C[C@@H]2N1Cc1ccccn1 ZINC000306144905 275031377 /nfs/dbraw/zinc/03/13/77/275031377.db2.gz ZRXGLSYBIKUZQH-ROUUACIJSA-N 1 0 322.412 2.174 40 0 DEABRO CC(C)(C)N(Cc1ccccc1)C(=O)CN1CCC[NH2+]CC1 ZINC000064875852 277149009 /nfs/dbraw/zinc/14/90/09/277149009.db2.gz LELHHPQPNFFNOO-UHFFFAOYSA-N 1 0 303.450 2.109 40 0 DEABRO CC[N@H+](C)[C@H]1CN(C(=O)c2ccnn2C)C2(C1)CCCCC2 ZINC000257227644 279046123 /nfs/dbraw/zinc/04/61/23/279046123.db2.gz FQGIGRVPJSHDCH-CQSZACIVSA-N 1 0 304.438 2.289 40 0 DEABRO Cc1ccc(CN2Cc3nccn3C[C@@H](C[NH+](C)C)C2)s1 ZINC000096059176 280822432 /nfs/dbraw/zinc/82/24/32/280822432.db2.gz RYRYPLFPCIKFSF-AWEZNQCLSA-N 1 0 304.463 2.447 40 0 DEABRO Cc1cccc[n+]1CCCN1C(=O)[C@@H]2CC(Cl)=CC[C@@H]2C1=O ZINC000026956899 281326860 /nfs/dbraw/zinc/32/68/60/281326860.db2.gz BLVBTWMDWYRUEH-LSDHHAIUSA-N 1 0 319.812 2.190 40 0 DEABRO CC(C)[NH2+]C[C@H]1O[C@H](Cc2cc(C(C)(C)C)on2)CC[C@@H]1O ZINC000077262502 1080449960 /nfs/dbraw/zinc/44/99/60/1080449960.db2.gz LHFWJZPHXBHHGO-SOUVJXGZSA-N 1 0 310.438 2.421 40 0 biogenic,in-vitro DEABRO CCN(C(=O)OCc1ccccc1)C1CC[NH+](CCO)CC1 ZINC000079411051 185170001 /nfs/dbraw/zinc/17/00/01/185170001.db2.gz WEOBRHGBSDVQLQ-UHFFFAOYSA-N 1 0 306.406 2.102 40 0 DEABRO CC(C)N(C(=O)C[NH3+])[C@@H]1CCCC[C@@H]1NC(=O)OC(C)(C)C ZINC000079391128 185168196 /nfs/dbraw/zinc/16/81/96/185168196.db2.gz XCNCNHFCRIYMRE-QWHCGFSZSA-N 1 0 313.442 2.018 40 0 DEABRO C[N@H+](CCN)C1CCC(NC(=O)OCc2ccccc2)CC1 ZINC000079391762 185168283 /nfs/dbraw/zinc/16/82/83/185168283.db2.gz ABXCNJORUPJXRJ-UHFFFAOYSA-N 1 0 305.422 2.115 40 0 DEABRO O=C(OCc1ccccc1)N1CC[C@@H](C[N@@H+](CCO)C2CC2)C1 ZINC000079391740 185168624 /nfs/dbraw/zinc/16/86/24/185168624.db2.gz IZQTWAMKAINWEL-INIZCTEOSA-N 1 0 318.417 2.102 40 0 DEABRO C[C@@H]1CCc2c(nc3ncnn3c2NCC[C@H]2CCC[N@@H+]2C)C1 ZINC000004516987 181118951 /nfs/dbraw/zinc/11/89/51/181118951.db2.gz GQPWCKVLROAUMJ-CHWSQXEVSA-N 1 0 314.437 2.145 40 0 DEABRO O=C(C[NH+]1CCCCCC1)Nc1ccc(C(=O)NC2CC2)cc1 ZINC000004935914 181174791 /nfs/dbraw/zinc/17/47/91/181174791.db2.gz IILRGLCTYKSLPE-UHFFFAOYSA-N 1 0 315.417 2.393 40 0 DEABRO C[N@@H+]1CCC[C@H]1c1ccnc(N2CC3(CCOCC3)OC2=O)c1 ZINC000585178791 357340135 /nfs/dbraw/zinc/34/01/35/357340135.db2.gz DZACOUUXQNDDKG-AWEZNQCLSA-N 1 0 317.389 2.354 40 0 DEABRO C[C@]1(C(=O)Nc2cccc(N3CCCC3=O)c2)CCC[NH2+]C1 ZINC000237626109 202309016 /nfs/dbraw/zinc/30/90/16/202309016.db2.gz UJOOETKOKHERHN-KRWDZBQOSA-N 1 0 301.390 2.142 40 0 DEABRO COc1ccccc1CC(=O)N1CCC[C@H]2[NH2+]CCC[C@@]21C ZINC000257210863 202946885 /nfs/dbraw/zinc/94/68/85/202946885.db2.gz BWLPWRBUZJTMQN-AEFFLSMTSA-N 1 0 302.418 2.371 40 0 DEABRO C[N@H+](Cc1ccc(F)cc1)C[C@@]1(O)CCN(C(=O)CC2CC2)C1 ZINC000257273814 203002859 /nfs/dbraw/zinc/00/28/59/203002859.db2.gz NIIHTHMHNXIFNG-SFHVURJKSA-N 1 0 320.408 2.021 40 0 DEABRO COc1ccccc1CC(=O)N1CC[C@H]2[NH2+]CCCC[C@H]2C1 ZINC000257281623 203009985 /nfs/dbraw/zinc/00/99/85/203009985.db2.gz OQDXYTNFGVPVSP-JKSUJKDBSA-N 1 0 302.418 2.228 40 0 DEABRO [NH3+]Cc1cnn(-c2ccccc2C(=O)NCc2cccs2)c1 ZINC000257288294 203013752 /nfs/dbraw/zinc/01/37/52/203013752.db2.gz PTQPAUDAUNVNET-UHFFFAOYSA-N 1 0 312.398 2.323 40 0 DEABRO Cc1cc(CC2CCN(C(=O)C3([NH3+])CCCC3)CC2)ccn1 ZINC000257290443 203014712 /nfs/dbraw/zinc/01/47/12/203014712.db2.gz QCZCNBKLMMZYPL-UHFFFAOYSA-N 1 0 301.434 2.443 40 0 DEABRO Cc1ccnc([C@@H]2CC[N@H+](Cc3ccnc(N4CCCC4)n3)C2)n1 ZINC000257321570 203045767 /nfs/dbraw/zinc/04/57/67/203045767.db2.gz WCEZLGXMIFDWCF-OAHLLOKOSA-N 1 0 324.432 2.165 40 0 DEABRO Cc1nc(CC(=O)N2CC[NH2+]C[C@H]2c2ccccc2)cs1 ZINC000257325592 203049429 /nfs/dbraw/zinc/04/94/29/203049429.db2.gz WTQOKYDWVOBLLH-HNNXBMFYSA-N 1 0 301.415 2.167 40 0 DEABRO Cc1nnc([C@H]2CC[C@@H]3[C@@H](CC[N@@H+]3CC3CCOCC3)O2)o1 ZINC000096065535 193516735 /nfs/dbraw/zinc/51/67/35/193516735.db2.gz SXBHEPMLEYJKJZ-RBSFLKMASA-N 1 0 307.394 2.099 40 0 DEABRO Cc1cccc(C[N@@H+]2CCC[C@@H](c3cc(=O)nc4n3CCC4)C2)n1 ZINC000019236220 182111281 /nfs/dbraw/zinc/11/12/81/182111281.db2.gz OEGJWZOGWVWMLH-OAHLLOKOSA-N 1 0 324.428 2.273 40 0 DEABRO Cc1nc([C@H]2CC[N@H+](Cc3cccc(F)c3F)C2)cc(=O)[nH]1 ZINC000019285263 182111508 /nfs/dbraw/zinc/11/15/08/182111508.db2.gz JQOUXZSBWZDFLO-NSHDSACASA-N 1 0 305.328 2.346 40 0 DEABRO Fc1cccc(CN2CCc3nc([C@@H]4CC[NH2+]C4)ncc3C2)c1 ZINC000019293900 182113724 /nfs/dbraw/zinc/11/37/24/182113724.db2.gz DZUZCDCWTAXGEM-CQSZACIVSA-N 1 0 312.392 2.251 40 0 DEABRO O=C(C1CCCC1)N1CCc2nc([C@H]3CCC[NH2+]C3)ncc2C1 ZINC000019292362 182113730 /nfs/dbraw/zinc/11/37/30/182113730.db2.gz KLVULISELMEJET-AWEZNQCLSA-N 1 0 314.433 2.019 40 0 DEABRO C[N@@H+]1CCc2nc([C@H]3CCCN3C(=O)c3ccccc3)ncc2C1 ZINC000019590559 182131851 /nfs/dbraw/zinc/13/18/51/182131851.db2.gz LTHALAYGZXLVBN-QGZVFWFLSA-N 1 0 322.412 2.442 40 0 DEABRO CC(C)(C)[NH2+]C[C@H](CN1CCOCC1)C(=O)c1ccccc1 ZINC000031771659 182622495 /nfs/dbraw/zinc/62/24/95/182622495.db2.gz GXARQECPYTZJAV-MRXNPFEDSA-N 1 0 304.434 2.206 40 0 DEABRO COC(=O)c1ccc(OC[C@@H](O)C[NH+]2CCCCCC2)cc1 ZINC000026781714 284565622 /nfs/dbraw/zinc/56/56/22/284565622.db2.gz RIENPVUVSQWIPH-HNNXBMFYSA-N 1 0 307.390 2.089 40 0 DEABRO CC1(C)CC(NC(=O)C(=O)Nc2ccccc2F)CC(C)(C)[NH2+]1 ZINC000042645664 183293548 /nfs/dbraw/zinc/29/35/48/183293548.db2.gz OAXSREURMIQYAR-UHFFFAOYSA-N 1 0 321.396 2.190 40 0 DEABRO CC(C)(C)OC(=O)N1CCC[C@H]([C@](O)(C[NH3+])c2ccccc2)C1 ZINC000072208100 257128017 /nfs/dbraw/zinc/12/80/17/257128017.db2.gz QRWKUVKFTZFVNW-YJBOKZPZSA-N 1 0 320.433 2.480 40 0 DEABRO C[C@H]1CCC[N@H+](CC(=O)Nc2ccccc2N2CCOCC2)C1 ZINC000003564832 401724945 /nfs/dbraw/zinc/72/49/45/401724945.db2.gz YONHRQBVDKXPQW-HNNXBMFYSA-N 1 0 317.433 2.194 40 0 DEABRO CC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1cccc(Cl)c1C ZINC000006953185 401734658 /nfs/dbraw/zinc/73/46/58/401734658.db2.gz GESQDCNOPKKQJN-LBPRGKRZSA-N 1 0 323.824 2.187 40 0 DEABRO CC(C)[NH+]1CCC(CNC(=O)[C@@H]2OCOc3ccccc32)CC1 ZINC000013996001 401805730 /nfs/dbraw/zinc/80/57/30/401805730.db2.gz FEMBRUNEDPQMNM-QGZVFWFLSA-N 1 0 318.417 2.331 40 0 DEABRO CCOc1cc(C[NH2+]C(C)(C)C)cc(Cl)c1OCC(N)=O ZINC000008253741 401750640 /nfs/dbraw/zinc/75/06/40/401750640.db2.gz SCSXAOGYXCFHNC-UHFFFAOYSA-N 1 0 314.813 2.491 40 0 DEABRO COc1ccc2cc(C(=O)N[C@H]3CCC[N@H+](C)C3)n(C)c2c1 ZINC000012148351 401780420 /nfs/dbraw/zinc/78/04/20/401780420.db2.gz ATRKBMWKNKHOJZ-ZDUSSCGKSA-N 1 0 301.390 2.011 40 0 DEABRO C[C@@H]1C[C@@H](C)C[NH+](C[C@@H](O)COc2ccc3c(c2)OCO3)C1 ZINC000012170295 401781239 /nfs/dbraw/zinc/78/12/39/401781239.db2.gz MBGJDHGOOZFDKI-MGPQQGTHSA-N 1 0 307.390 2.133 40 0 DEABRO CC[C@@H](C)NC(=O)Cn1c(C2CC[NH2+]CC2)cc2cccnc21 ZINC000012222082 401781687 /nfs/dbraw/zinc/78/16/87/401781687.db2.gz WGKJSUKTUXSOAY-CYBMUJFWSA-N 1 0 314.433 2.418 40 0 DEABRO CCO[C@H]1CC[C@H]2[C@H]1OCCN2Cc1ccc2c(c1)OCO2 ZINC000096041971 402048768 /nfs/dbraw/zinc/04/87/68/402048768.db2.gz NSMQGIAJFPWSTI-JLJPHGGASA-N 1 0 305.374 2.184 40 0 DEABRO c1csc(CN2C[C@H]3C[NH+](Cc4ccccn4)C[C@@H]3C2)n1 ZINC000096053790 402052117 /nfs/dbraw/zinc/05/21/17/402052117.db2.gz VLDMOJGVVURWNQ-ZIAGYGMSSA-N 1 0 300.431 2.102 40 0 DEABRO CNC(=O)[C@@H]1CCO[C@@H]2CC[N@H+](Cc3ccc(C)s3)C[C@H]21 ZINC000096058280 402054454 /nfs/dbraw/zinc/05/44/54/402054454.db2.gz RUJBTOFCFZVVPY-QLFBSQMISA-N 1 0 308.447 2.030 40 0 DEABRO O=C1C[C@H](c2cccnc2)C2(CC[NH+](Cc3cccnc3)CC2)N1 ZINC000096061459 402055020 /nfs/dbraw/zinc/05/50/20/402055020.db2.gz AKVVHABAFDCZJV-QGZVFWFLSA-N 1 0 322.412 2.115 40 0 DEABRO C[NH+](C)[C@H]1COC2(C1)CCN(C(=O)c1cccc(F)c1)CC2 ZINC000096063049 402055740 /nfs/dbraw/zinc/05/57/40/402055740.db2.gz BGKXJFLOZNDYQD-OAHLLOKOSA-N 1 0 306.381 2.151 40 0 DEABRO COC[C@]12CCCO[C@H]1CC[N@H+](Cc1ccc3c(c1)OCO3)C2 ZINC000096064983 402055921 /nfs/dbraw/zinc/05/59/21/402055921.db2.gz IHXWMLCYEYRLKV-ZWKOTPCHSA-N 1 0 319.401 2.433 40 0 DEABRO COCCC(=O)N1CC[C@]2(CC[N@H+](Cc3ccc(C)o3)C2)C1 ZINC000096071116 402056328 /nfs/dbraw/zinc/05/63/28/402056328.db2.gz HEYMHNMECJDRGE-KRWDZBQOSA-N 1 0 306.406 2.049 40 0 DEABRO Cc1nnc([C@@H]2C[C@@H]3CC[N@H+](Cc4scnc4C)C[C@H]3O2)[nH]1 ZINC000096070719 402056567 /nfs/dbraw/zinc/05/65/67/402056567.db2.gz ADROXMIBEVJDLY-RWMBFGLXSA-N 1 0 319.434 2.230 40 0 DEABRO O=C1N(c2cccnc2)CC12CC[NH+](Cc1ccncc1)CC2 ZINC000096202951 402069099 /nfs/dbraw/zinc/06/90/99/402069099.db2.gz ZJDSPJFYXDUZGB-UHFFFAOYSA-N 1 0 308.385 2.106 40 0 DEABRO COC[C@H]1CCC2(CCN(c3ncccn3)CC2)[N@@H+]1CC1CC1 ZINC000096208214 402069343 /nfs/dbraw/zinc/06/93/43/402069343.db2.gz QXRCFYGJCYOCCF-MRXNPFEDSA-N 1 0 316.449 2.336 40 0 DEABRO COC[C@H]1CCC2(CCN(C(=O)c3csc(C)n3)CC2)[N@@H+]1C ZINC000096208658 402069368 /nfs/dbraw/zinc/06/93/68/402069368.db2.gz CXIWRGHWKYEPPQ-CYBMUJFWSA-N 1 0 323.462 2.167 40 0 DEABRO Cc1cc(CN2CC[C@]3(C2)C[N@H+](C)C[C@H]3COCC2CC2)no1 ZINC000096209673 402070947 /nfs/dbraw/zinc/07/09/47/402070947.db2.gz GIOVGNPNSHZJGA-FUHWJXTLSA-N 1 0 319.449 2.163 40 0 DEABRO COCCN1CC[C@@]2(CCC[N@H+](Cc3ccc(F)cc3)C2)C1=O ZINC000096224039 402071925 /nfs/dbraw/zinc/07/19/25/402071925.db2.gz UXOIHGHIALBEED-GOSISDBHSA-N 1 0 320.408 2.287 40 0 DEABRO Cc1ccc(C[NH+]2CCC3(C[C@@H](NC(=O)C(C)C)CO3)CC2)o1 ZINC000096220620 402072004 /nfs/dbraw/zinc/07/20/04/402072004.db2.gz WEOLARVUKLCIJM-OAHLLOKOSA-N 1 0 320.433 2.484 40 0 DEABRO COC[C@@H]1CC2(CN1c1ncccn1)CC[NH+](CC1CC1)CC2 ZINC000096240403 402073868 /nfs/dbraw/zinc/07/38/68/402073868.db2.gz NWTZTDXKYCFQDT-INIZCTEOSA-N 1 0 316.449 2.194 40 0 DEABRO c1nc2c(c(NC3CCC3)n1)CC[N@H+](CC1CCOCC1)CC2 ZINC000096255784 402075375 /nfs/dbraw/zinc/07/53/75/402075375.db2.gz HYZQCADLYBGPQZ-UHFFFAOYSA-N 1 0 316.449 2.268 40 0 DEABRO CCC1=N[C@@]2(CC[C@@H]3C[N@H+](CC(C)C)C[C@@H]32)C(=O)N1CCOC ZINC000096261668 402076160 /nfs/dbraw/zinc/07/61/60/402076160.db2.gz UKGDWWWGRZAJDL-RVKKMQEKSA-N 1 0 321.465 2.020 40 0 DEABRO CCS(=O)(=O)[C@@H](C)[C@H]([NH3+])c1ccc(Br)cc1 ZINC000096524811 402098521 /nfs/dbraw/zinc/09/85/21/402098521.db2.gz CVBJEZKZUVHGJG-KWQFWETISA-N 1 0 306.225 2.272 40 0 DEABRO COc1ccc(S[C@H](C)C(=O)NC2CC[NH+](C)CC2)cc1 ZINC000054148160 402063193 /nfs/dbraw/zinc/06/31/93/402063193.db2.gz RWYUNSMVKYSZII-GFCCVEGCSA-N 1 0 308.447 2.386 40 0 DEABRO CC(C)CC[N@@H+]1CCc2n[nH]c(C(=O)N3CCC[C@H]3C)c2C1 ZINC000096187412 402065845 /nfs/dbraw/zinc/06/58/45/402065845.db2.gz YDSCSSZCFWCLLG-CYBMUJFWSA-N 1 0 304.438 2.438 40 0 DEABRO O=C(N[C@@H]1C[N@H+](Cc2cccs2)[C@@H]2CCCO[C@H]12)C1CC1 ZINC000096185900 402066041 /nfs/dbraw/zinc/06/60/41/402066041.db2.gz CKHCPZPXJBMFOW-RBSFLKMASA-N 1 0 306.431 2.006 40 0 DEABRO c1cn2c(n1)CN(Cc1ccccn1)C[C@H](C[NH+]1CCCC1)C2 ZINC000096188355 402066919 /nfs/dbraw/zinc/06/69/19/402066919.db2.gz CCJWIGHJQVHNOD-INIZCTEOSA-N 1 0 311.433 2.006 40 0 DEABRO CCC(CC)C[NH2+]C[C@H]1Cn2nnc(-c3ccoc3)c2CO1 ZINC000096199220 402067945 /nfs/dbraw/zinc/06/79/45/402067945.db2.gz XGERPZKAXVZCMW-AWEZNQCLSA-N 1 0 304.394 2.463 40 0 DEABRO O=C1NC2(C[C@H]1c1cccnc1)CC[NH+](Cc1ccoc1)CC2 ZINC000096199455 402067971 /nfs/dbraw/zinc/06/79/71/402067971.db2.gz ICNYHQXFPKEOSX-INIZCTEOSA-N 1 0 311.385 2.313 40 0 DEABRO Cn1cc(C[NH+]2CCC3(C[C@@H](c4ccccc4)C(=O)N3)CC2)cn1 ZINC000096199416 402068248 /nfs/dbraw/zinc/06/82/48/402068248.db2.gz PCRUYQSZXKKUDW-KRWDZBQOSA-N 1 0 324.428 2.058 40 0 DEABRO Cc1cc(CN2CC[C@@H]([NH+](C)C)[C@@H]2Cc2cnn(C)c2)oc1C ZINC000096200924 402068258 /nfs/dbraw/zinc/06/82/58/402068258.db2.gz XWAZBKTUIFDZDZ-MSOLQXFVSA-N 1 0 316.449 2.377 40 0 DEABRO COC(=O)C(=O)[C@]1(c2ccccc2)CCCC(C[NH+](C)C)C1=O ZINC000104072526 402197267 /nfs/dbraw/zinc/19/72/67/402197267.db2.gz DIETVJGVIAPOKO-SFHVURJKSA-N 1 0 317.385 2.224 40 0 DEABRO N[C@H](C(=O)OCC1c2ccccc2-c2ccccc21)[C@H]1CCC[NH2+]1 ZINC000071186604 402270673 /nfs/dbraw/zinc/27/06/73/402270673.db2.gz ZURJXUMOPDWDAQ-MOPGFXCFSA-N 1 0 322.408 2.421 40 0 DEABRO COc1ccc([C@H]2[C@H](C[NH3+])[C@@H]2S(=O)(=O)c2ccccc2)cc1 ZINC000218097839 402295066 /nfs/dbraw/zinc/29/50/66/402295066.db2.gz SXJFNECNOKYECL-ULQDDVLXSA-N 1 0 317.410 2.210 40 0 DEABRO COc1ccc(CCN2CC[NH2+][C@H]3CCCC[C@H]32)cc1OC ZINC000218829542 402296758 /nfs/dbraw/zinc/29/67/58/402296758.db2.gz PCDYWXSLJODRRH-JKSUJKDBSA-N 1 0 304.434 2.463 40 0 DEABRO CCOC(=O)c1ccc(C)c(NC(=S)NCCC[NH+](C)C)c1 ZINC000225402669 402316505 /nfs/dbraw/zinc/31/65/05/402316505.db2.gz LPQQSNHFONGUKO-UHFFFAOYSA-N 1 0 323.462 2.410 40 0 DEABRO c1cc(CO[C@@H]2CCOC3(C[NH+](C4CCOCC4)C3)C2)ccn1 ZINC000247917369 402577969 /nfs/dbraw/zinc/57/79/69/402577969.db2.gz BLNSBGAYAGCGSD-QGZVFWFLSA-N 1 0 318.417 2.011 40 0 DEABRO COC[C@@H]1CC[N@H+](C)C2(CN(C(=O)c3cc(F)cc(F)c3)C2)C1 ZINC000248149824 402583254 /nfs/dbraw/zinc/58/32/54/402583254.db2.gz SWWVWQNJNRLHCG-GFCCVEGCSA-N 1 0 324.371 2.148 40 0 DEABRO COC[C@H]1CC[N@H+](C)C2(CN(C(=O)c3cc(F)cc(F)c3)C2)C1 ZINC000248149827 402584372 /nfs/dbraw/zinc/58/43/72/402584372.db2.gz SWWVWQNJNRLHCG-LBPRGKRZSA-N 1 0 324.371 2.148 40 0 DEABRO c1c[nH]c(C[N@H+]2CC[C@@H]3[C@H](CC2)OCCN3c2cccnc2)c1 ZINC000247876460 402577326 /nfs/dbraw/zinc/57/73/26/402577326.db2.gz AODWECBXTYRADR-MSOLQXFVSA-N 1 0 312.417 2.280 40 0 DEABRO O=C(NC[C@H]1CCCO1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000250653470 402646423 /nfs/dbraw/zinc/64/64/23/402646423.db2.gz SNRAQBYPRGFDGU-DLBZAZTESA-N 1 0 302.418 2.194 40 0 DEABRO COCC[N@@H+]1CCC[C@H](c2cncc(-c3c(C)n[nH]c3C)n2)C1 ZINC000257232301 402706491 /nfs/dbraw/zinc/70/64/91/402706491.db2.gz GKGQZQUOFIWJFF-AWEZNQCLSA-N 1 0 315.421 2.309 40 0 DEABRO C[C@]12CCCN(C(=O)COc3cccc(F)c3)[C@@H]1CCC[NH2+]2 ZINC000257238226 402707059 /nfs/dbraw/zinc/70/70/59/402707059.db2.gz HKBGLFBGXYLHNK-WBVHZDCISA-N 1 0 306.381 2.338 40 0 DEABRO C[NH+](C)Cc1ccnc([C@H]2CCCN2Cc2cncs2)n1 ZINC000257262243 402710324 /nfs/dbraw/zinc/71/03/24/402710324.db2.gz LKRYEFSNUBSYMY-CQSZACIVSA-N 1 0 303.435 2.332 40 0 DEABRO Cc1c[nH]nc1[C@H]1CCC[N@H+](Cc2cccc(OCCO)c2)C1 ZINC000257325373 402712140 /nfs/dbraw/zinc/71/21/40/402712140.db2.gz WSSCRZMDPZWPQH-INIZCTEOSA-N 1 0 315.417 2.469 40 0 DEABRO c1cncc(CO[C@H]2CSC3(C[NH+](C4CCOCC4)C3)C2)c1 ZINC000253596831 402669493 /nfs/dbraw/zinc/66/94/93/402669493.db2.gz WJHKMXNRWZLGRM-MRXNPFEDSA-N 1 0 320.458 2.337 40 0 DEABRO COCc1cccc(C[NH2+][C@H]2CCCC[C@H]2S(C)(=O)=O)c1 ZINC000182456023 402691307 /nfs/dbraw/zinc/69/13/07/402691307.db2.gz OCJMKJNPOYHMDZ-JKSUJKDBSA-N 1 0 311.447 2.278 40 0 DEABRO Cn1cc(C[N@@H+]2CCOC[C@H](Cc3cccc(F)c3)C2)cn1 ZINC000257209724 402702885 /nfs/dbraw/zinc/70/28/85/402702885.db2.gz BRQMMSSVFRDHHL-OAHLLOKOSA-N 1 0 303.381 2.250 40 0 DEABRO O=C(C[C@@H]1CC2(CC[NH2+]CC2)Oc2ccccc21)NC1CC1 ZINC000306137883 403950210 /nfs/dbraw/zinc/95/02/10/403950210.db2.gz RJCWDPVCBKGTBA-CYBMUJFWSA-N 1 0 300.402 2.344 40 0 DEABRO CCNc1nc(N2CCc3cc([C@@H](C)O)ccc3C2)cc(C)[nH+]1 ZINC000329027665 424902999 /nfs/dbraw/zinc/90/29/99/424902999.db2.gz PSKMZUJDOCSALY-CYBMUJFWSA-N 1 0 312.417 2.833 40 0 DEABRO CNc1nc(N2CCc3cc(OC)ccc3C2)cc(C2CC2)[nH+]1 ZINC000328976087 424903142 /nfs/dbraw/zinc/90/31/42/424903142.db2.gz FNFXJGAQJSVSIA-UHFFFAOYSA-N 1 0 310.401 2.967 40 0 DEABRO O=C(c1sc2ccccc2c1[C@H]1CC[NH2+]C1)N1CCOCC1 ZINC000257247246 275016499 /nfs/dbraw/zinc/01/64/99/275016499.db2.gz IYCVHLAKHCZZMT-LBPRGKRZSA-N 1 0 316.426 2.451 40 0 DEABRO CCc1cc(N2CC[NH+](C)CC2)n2nc3nc(C)cc(C)c3c2n1 ZINC000072347823 276662305 /nfs/dbraw/zinc/66/23/05/276662305.db2.gz LYJTWKZFPPMVMO-UHFFFAOYSA-N 1 0 324.432 2.209 40 0 DEABRO CC(=O)Nc1ccc(OC[C@H](O)C[N@H+]2CCC[C@H](C)C2)cc1 ZINC000026781666 277080893 /nfs/dbraw/zinc/08/08/93/277080893.db2.gz GESMYNQNRCGSED-XJKSGUPXSA-N 1 0 306.406 2.117 40 0 DEABRO Cc1cccc(N2CC[C@H]3[C@H]2CC[N@@H+]3CC2CCOCC2)n1 ZINC000096184436 281229695 /nfs/dbraw/zinc/22/96/95/281229695.db2.gz PBPHJZXWJFLJOW-DLBZAZTESA-N 1 0 301.434 2.470 40 0 DEABRO c1cnc(N2CCC3(CC[N@@H+](Cc4cccnc4)C3)CC2)nc1 ZINC000096157407 722011862 /nfs/dbraw/zinc/01/18/62/722011862.db2.gz PIOGPKLGNAXDMT-UHFFFAOYSA-N 1 0 309.417 2.364 40 0 DEABRO CN(C(=O)OCc1ccccc1)[C@@H]1CCCC[C@@H]1[NH2+]CCO ZINC000079410997 185169848 /nfs/dbraw/zinc/16/98/48/185169848.db2.gz SPNCDUKKHPBKJA-JKSUJKDBSA-N 1 0 306.406 2.148 40 0 DEABRO O=C(OCc1ccccc1)N1CC[C@H](C[N@@H+](CCO)C2CC2)C1 ZINC000079391739 185168372 /nfs/dbraw/zinc/16/83/72/185168372.db2.gz IZQTWAMKAINWEL-MRXNPFEDSA-N 1 0 318.417 2.102 40 0 DEABRO C[N@@H+]1C[C@@H]2CN(C(=O)Nc3ccc(F)cc3)CCN2C(C)(C)C1 ZINC000253401152 186307126 /nfs/dbraw/zinc/30/71/26/186307126.db2.gz MNQMQMWLTIOVDD-OAHLLOKOSA-N 1 0 320.412 2.068 40 0 biogenic,in-vitro DEABRO COc1cccc(-c2nccnc2[C@H]2CCC[N@H+](CCO)C2)c1 ZINC000072358377 191130829 /nfs/dbraw/zinc/13/08/29/191130829.db2.gz LGLPCJAJUOEJML-HNNXBMFYSA-N 1 0 313.401 2.324 40 0 DEABRO Cc1cnc(CCNC(=O)c2cccc([C@@H]3CCC[NH2+]3)n2)s1 ZINC000072365732 191135780 /nfs/dbraw/zinc/13/57/80/191135780.db2.gz AFQFZYJLOVHYBL-LBPRGKRZSA-N 1 0 316.430 2.244 40 0 DEABRO CCOC(=O)/C(C)=C/[C@H](C(C)C)N(C)C(=O)[C@@H]([NH3+])C(C)(C)C ZINC000038274848 354167562 /nfs/dbraw/zinc/16/75/62/354167562.db2.gz LWKWBMKMTOYVDA-XMNZZIDVSA-N 1 0 312.454 2.352 40 0 DEABRO CN(Cc1ccccn1)[C@@H]1CCC[C@@H]2C[N@@H+]([C@@H]3CCOC3)C[C@@H]21 ZINC000096183064 355698865 /nfs/dbraw/zinc/69/88/65/355698865.db2.gz WMXBXBUVRYSJLP-OQIJWPOYSA-N 1 0 315.461 2.403 40 0 DEABRO CC[C@@H](C)[N@@H+]1CCC[C@@]2(CCC(=O)N2CC(=O)NC(C)C)CC1 ZINC000585100774 357333476 /nfs/dbraw/zinc/33/34/76/357333476.db2.gz WEAYWSTWSSEAGD-CRAIPNDOSA-N 1 0 323.481 2.157 40 0 DEABRO O=C(C1CC(F)C1)N1CC[C@@]2(C1)CCC[C@@H](C[NH+]1CCCC1)O2 ZINC000585103130 357333906 /nfs/dbraw/zinc/33/39/06/357333906.db2.gz RGTIGERWOCISTI-UNGSAITNSA-N 1 0 324.440 2.371 40 0 DEABRO OC1(COc2ccc(F)cc2)CC[NH+](C2CCOCC2)CC1 ZINC000585269341 357340978 /nfs/dbraw/zinc/34/09/78/357340978.db2.gz PSSDBDYTFTYJDK-UHFFFAOYSA-N 1 0 309.381 2.210 40 0 DEABRO CO[C@@H]1C[N@H+](CC2(O)CCOCC2)CC[C@@H]1Cc1ccccc1 ZINC000585279787 357343883 /nfs/dbraw/zinc/34/38/83/357343883.db2.gz OZAPLNGUGVNIPI-QZTJIDSGSA-N 1 0 319.445 2.108 40 0 DEABRO COc1cccc(CC(=O)N2CCCC[C@H]3C[NH2+]CC[C@H]32)c1 ZINC000257275263 203004133 /nfs/dbraw/zinc/00/41/33/203004133.db2.gz NOPIMBVMXFEKTO-DOTOQJQBSA-N 1 0 302.418 2.228 40 0 DEABRO CC1(C)CC2(CN1S(=O)(=O)c1ccccc1)CC[NH2+]CC2 ZINC000257308817 203034345 /nfs/dbraw/zinc/03/43/45/203034345.db2.gz TYFMYCKJERMFBV-UHFFFAOYSA-N 1 0 308.447 2.229 40 0 DEABRO c1cnc(C[C@@H]2CC3(CO2)CC[NH+](C2CCOCC2)CC3)cn1 ZINC000257290446 203016168 /nfs/dbraw/zinc/01/61/68/203016168.db2.gz QCZJRSWGYQQSQQ-QGZVFWFLSA-N 1 0 317.433 2.069 40 0 DEABRO COc1ccc(CC(=O)N2CC[C@H]3[NH2+]CCCC[C@H]3C2)cc1 ZINC000257315103 203038118 /nfs/dbraw/zinc/03/81/18/203038118.db2.gz UZXNOAJHLZITGP-DOTOQJQBSA-N 1 0 302.418 2.228 40 0 DEABRO NC(=O)c1cc(C[C@H]2CCC[N@H+](Cc3ccccc3)CC2)ncn1 ZINC000257313741 203038890 /nfs/dbraw/zinc/03/88/90/203038890.db2.gz UTXRJJVFGSCBET-HNNXBMFYSA-N 1 0 324.428 2.420 40 0 DEABRO COc1cccc(OC)c1C[NH+]1CCC2(CC1)OCCC[C@H]2O ZINC000257318334 203043415 /nfs/dbraw/zinc/04/34/15/203043415.db2.gz VNLLIDFKPVWKQB-QGZVFWFLSA-N 1 0 321.417 2.210 40 0 DEABRO CNc1cncc(C2CC[NH+](CC3(O)CCCCC3)CC2)n1 ZINC000257336836 203058312 /nfs/dbraw/zinc/05/83/12/203058312.db2.gz YQFSQIILQUKYAN-UHFFFAOYSA-N 1 0 304.438 2.393 40 0 DEABRO O=C(NC[C@H]1OC[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]21)C1CC1 ZINC000096185466 193565695 /nfs/dbraw/zinc/56/56/95/193565695.db2.gz JYPANWBJBCZHQH-OKZBNKHCSA-N 1 0 314.429 2.050 40 0 DEABRO O=C(Cn1cccc2cc([C@@H]3CCC[NH2+]C3)nc1-2)N1CCCC1 ZINC000012234124 181742973 /nfs/dbraw/zinc/74/29/73/181742973.db2.gz XXWLFWDGMJNXGK-OAHLLOKOSA-N 1 0 312.417 2.077 40 0 DEABRO Cc1cnn(CC(=O)N2CCCC[C@H]2C[NH+]2CCCCCC2)c1 ZINC000019239915 182111278 /nfs/dbraw/zinc/11/12/78/182111278.db2.gz CHXJKEJFCXKNCV-KRWDZBQOSA-N 1 0 318.465 2.449 40 0 DEABRO Cc1nccn1CC1(O)CC[NH+](Cc2ccccc2F)CC1 ZINC000019288001 182112656 /nfs/dbraw/zinc/11/26/56/182112656.db2.gz WWURIBMAVPBOIL-UHFFFAOYSA-N 1 0 303.381 2.358 40 0 DEABRO CCn1cc(CN2C[C@@H]3CCC[N@@H+]3C[C@H]2CCSC)cn1 ZINC000019524997 182127972 /nfs/dbraw/zinc/12/79/72/182127972.db2.gz GZRFNHZMKJFCEE-JKSUJKDBSA-N 1 0 308.495 2.305 40 0 DEABRO C[C@H]1C[N@@H+]2C[C@H](O)C[C@H]2CN1Cc1cccc(C(F)(F)F)c1 ZINC000019575945 182131431 /nfs/dbraw/zinc/13/14/31/182131431.db2.gz CWRPDHISSPOZMD-TUKIKUTGSA-N 1 0 314.351 2.345 40 0 DEABRO Cc1c(C[N@@H+]2CCC[C@](C)(C(=O)NC3CCCC3)C2)cnn1C ZINC000019746711 182142274 /nfs/dbraw/zinc/14/22/74/182142274.db2.gz OGCJNGYKRXIVSZ-SFHVURJKSA-N 1 0 318.465 2.389 40 0 DEABRO CCOc1c(Cl)cc(Cl)cc1CNCC[NH2+]C[C@H](C)O ZINC000022074851 182307739 /nfs/dbraw/zinc/30/77/39/182307739.db2.gz BMDYVQUOFPIFOP-JTQLQIEISA-N 1 0 321.248 2.452 40 0 DEABRO CN(CC[NH+]1CCCCC1)Cc1ccnn1[C@@H]1CCCCO1 ZINC000022916164 182341284 /nfs/dbraw/zinc/34/12/84/182341284.db2.gz STTNLKPRPHQFDP-KRWDZBQOSA-N 1 0 306.454 2.500 40 0 DEABRO CCn1nc(C)c2c1nc(C)cc2C(=O)NCC[NH+](CC)CC ZINC000028240663 182515540 /nfs/dbraw/zinc/51/55/40/182515540.db2.gz NMVHTOJKDCMZSH-UHFFFAOYSA-N 1 0 317.437 2.140 40 0 DEABRO CCOCCCNC(=O)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000038856786 183012207 /nfs/dbraw/zinc/01/22/07/183012207.db2.gz DQPKFOLBNNZKSH-KRWDZBQOSA-N 1 0 304.434 2.441 40 0 DEABRO COc1cc(OC)cc(C(=O)NCCC2CC[NH+](C)CC2)c1 ZINC000156345153 197106037 /nfs/dbraw/zinc/10/60/37/197106037.db2.gz DZSSWMCPMKWHBI-UHFFFAOYSA-N 1 0 306.406 2.166 40 0 DEABRO CC(=O)N1CCCC[C@@H]1c1cnc(N2CCOCC2)c(C)c1 ZINC000072219375 257124395 /nfs/dbraw/zinc/12/43/95/257124395.db2.gz JXYHCAYYVAIWQO-MRXNPFEDSA-N 1 0 303.406 2.300 40 0 DEABRO O=C(C[C@@H](c1ccccc1)[C@H]1CCC[NH2+]C1)N1CCOCC1 ZINC000072208354 257128346 /nfs/dbraw/zinc/12/83/46/257128346.db2.gz AJUDMAFXEWVXJJ-IRXDYDNUSA-N 1 0 302.418 2.019 40 0 DEABRO C[NH2+]Cc1ccc(-c2cc(C(=O)OC)cc(C(=O)OC)c2)o1 ZINC000007540615 401741750 /nfs/dbraw/zinc/74/17/50/401741750.db2.gz IPQYCHFHONEMFQ-UHFFFAOYSA-N 1 0 303.314 2.239 40 0 DEABRO CC(C)[NH2+]C[C@H](O)COc1ccc(OCCOCC2CC2)cc1 ZINC000001534254 401708152 /nfs/dbraw/zinc/70/81/52/401708152.db2.gz JNDJPKHYZWRRIS-INIZCTEOSA-N 1 0 323.433 2.230 40 0 in-man DEABRO O=C(C1CCCC1)N1CC[N@H+](Cc2ccccc2)CCC1=O ZINC000072343223 401709268 /nfs/dbraw/zinc/70/92/68/401709268.db2.gz NDURWDRGZGABLX-UHFFFAOYSA-N 1 0 300.402 2.438 40 0 DEABRO C[C@H]1C[C@H]1NC(=O)NC[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000078405579 401850480 /nfs/dbraw/zinc/85/04/80/401850480.db2.gz PEHVYWUFYDLGIJ-BHYGNILZSA-N 1 0 301.434 2.259 40 0 DEABRO CCn1cc(CNC(=O)[C@H]2CCC[N@@H+]2Cc2ccccc2)cn1 ZINC000028235874 401850959 /nfs/dbraw/zinc/85/09/59/401850959.db2.gz ZNJTVVKCCQSLCJ-QGZVFWFLSA-N 1 0 312.417 2.184 40 0 DEABRO Cc1ccsc1[C@@H]1NC(=[NH2+])Nc2nc(=O)c3ccccc3n21 ZINC000039921219 401924660 /nfs/dbraw/zinc/92/46/60/401924660.db2.gz LXPXRGHYGXPYPW-GFCCVEGCSA-N 1 0 311.370 2.054 40 0 DEABRO COc1ccc(OC)c(COC[C@H](O)C[NH2+]C2CCCC2)c1 ZINC000032594533 401880292 /nfs/dbraw/zinc/88/02/92/401880292.db2.gz WGTCLNCXGVXDFP-OAHLLOKOSA-N 1 0 309.406 2.114 40 0 DEABRO COc1ccc(OC)c(COC[C@@H](O)C[NH2+]C2CCCC2)c1 ZINC000032594532 401880340 /nfs/dbraw/zinc/88/03/40/401880340.db2.gz WGTCLNCXGVXDFP-HNNXBMFYSA-N 1 0 309.406 2.114 40 0 DEABRO C[NH+](C)CCCNc1ncnc2c1cnn2Cc1ccccc1 ZINC000033582328 401891327 /nfs/dbraw/zinc/89/13/27/401891327.db2.gz SQNSQTZFCTZSAT-UHFFFAOYSA-N 1 0 310.405 2.238 40 0 DEABRO CC[NH+]1CCN([C@H](c2nnnn2C(C)(C)CC)C(C)C)CC1 ZINC000035310854 401898544 /nfs/dbraw/zinc/89/85/44/401898544.db2.gz KOSBACJHLCQKHD-AWEZNQCLSA-N 1 0 308.474 2.153 40 0 DEABRO O=C1[C@@H]2CC[N@H+](CC3CC3)C[C@@H]2OCCN1c1ccsc1 ZINC000096107145 402059010 /nfs/dbraw/zinc/05/90/10/402059010.db2.gz QLLQLDSDLFCBQG-CABCVRRESA-N 1 0 306.431 2.212 40 0 DEABRO CC(=O)Nc1ccc2c(c1)nc1n2[C@@H](C[NH2+]C(C)C)COC1 ZINC000096112767 402060301 /nfs/dbraw/zinc/06/03/01/402060301.db2.gz CCQVIARCVXQBQL-ZDUSSCGKSA-N 1 0 302.378 2.064 40 0 biogenic,in-vitro DEABRO Fc1ccc2c(c1)nc1n2[C@@H](C[NH2+]C2CCOCC2)COC1 ZINC000096112728 402060526 /nfs/dbraw/zinc/06/05/26/402060526.db2.gz BDWXTSKFKBWIKW-ZDUSSCGKSA-N 1 0 305.353 2.015 40 0 biogenic,in-vitro DEABRO CC(C)OC[C@]12CCCO[C@H]1CC[N@H+](Cc1cnn(C)c1)C2 ZINC000096040501 402049017 /nfs/dbraw/zinc/04/90/17/402049017.db2.gz NCVIWKLYIGJRTJ-DLBZAZTESA-N 1 0 307.438 2.216 40 0 DEABRO Cc1ccccc1C[N@H+]1CC[C@H]2C[C@H](C(=O)N(C)C)O[C@H]2C1 ZINC000096043165 402049837 /nfs/dbraw/zinc/04/98/37/402049837.db2.gz NEVOQVPCNHNNTH-UAGQMJEPSA-N 1 0 302.418 2.063 40 0 DEABRO c1cncc(N2CCOC[C@]3(CCC[N@@H+](CC4CC4)C3)C2)c1 ZINC000096049577 402050730 /nfs/dbraw/zinc/05/07/30/402050730.db2.gz XFJYGRCMGSTHQW-SFHVURJKSA-N 1 0 301.434 2.410 40 0 DEABRO O=C(NC1CC1)[C@H]1C[C@H]2OCC[C@H]2[N@H+](Cc2cccs2)C1 ZINC000096057654 402053133 /nfs/dbraw/zinc/05/31/33/402053133.db2.gz SAZUWVJRWRERAJ-NILFDRSVSA-N 1 0 306.431 2.006 40 0 DEABRO CN(C)C(=O)[C@@H]1CCC2(CC[NH+](Cc3cccs3)CC2)O1 ZINC000096061120 402054860 /nfs/dbraw/zinc/05/48/60/402054860.db2.gz UAUXTIXIFPNDSU-AWEZNQCLSA-N 1 0 308.447 2.350 40 0 DEABRO CN(C)C(=O)[C@@H]1CCC2(CC[NH+](Cc3ccsc3)CC2)O1 ZINC000096061124 402054965 /nfs/dbraw/zinc/05/49/65/402054965.db2.gz OKKXLPVREXMJCF-AWEZNQCLSA-N 1 0 308.447 2.350 40 0 DEABRO c1cc(C[NH2+]C[C@H]2Cn3nnc(-c4ccsc4)c3CO2)co1 ZINC000096061029 402055067 /nfs/dbraw/zinc/05/50/67/402055067.db2.gz ICHUKBQSXLLPHY-ZDUSSCGKSA-N 1 0 316.386 2.288 40 0 DEABRO CC(C)[N@H+](C)Cc1cnc2n1CCN(C(=O)c1cccs1)C2 ZINC000096061789 402055781 /nfs/dbraw/zinc/05/57/81/402055781.db2.gz BXUIUIJLYOKZKX-UHFFFAOYSA-N 1 0 318.446 2.441 40 0 DEABRO COC[C@H]1C[N@H+](CC2CC2)Cc2cnn(CC3CCOCC3)c21 ZINC000096068357 402056549 /nfs/dbraw/zinc/05/65/49/402056549.db2.gz DIQAQOSMRVIJAI-QGZVFWFLSA-N 1 0 319.449 2.265 40 0 DEABRO CC[NH+](CC)C[C@H]1Cn2ccnc2CN(Cc2ccco2)C1 ZINC000096086775 402057785 /nfs/dbraw/zinc/05/77/85/402057785.db2.gz RQGOAXUXLLFFJV-OAHLLOKOSA-N 1 0 302.422 2.450 40 0 DEABRO COc1ccc(C[N@@H+]2CC[C@H]3[C@H]2CCN3c2nncs2)cc1 ZINC000096083019 402057856 /nfs/dbraw/zinc/05/78/56/402057856.db2.gz ABOGRQLPAVDAOH-CABCVRRESA-N 1 0 316.430 2.400 40 0 DEABRO CC(C)C[N@H+]1C[C@H]2[C@H](CC[C@@]23N=C(c2ccccc2)NC3=O)C1 ZINC000096100444 402058261 /nfs/dbraw/zinc/05/82/61/402058261.db2.gz YCSQKRNLTVNKCE-JTDSTZFVSA-N 1 0 311.429 2.300 40 0 DEABRO CN(C)C(=O)NC[C@H]1CCC[C@]2(CC[N@@H+](C3CCCC3)C2)O1 ZINC000096208431 402069797 /nfs/dbraw/zinc/06/97/97/402069797.db2.gz NJMFXMAAKBTFFQ-NVXWUHKLSA-N 1 0 309.454 2.214 40 0 DEABRO O=C(C[C@H]1C[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2O1)NCC1CC1 ZINC000096209844 402070615 /nfs/dbraw/zinc/07/06/15/402070615.db2.gz ODAMLUYTIYJUGV-RCCFBDPRSA-N 1 0 314.429 2.192 40 0 DEABRO O=C1[C@H]2C[N@H+](Cc3ccc(F)cc3)C[C@H]2CN1c1cccnc1 ZINC000096245190 402074289 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O=C(Nc1cccnc1)[C@@H]1CCO[C@@H]2CC[N@@H+](C3CCC3)C[C@@H]21 ZINC000097953873 402133521 /nfs/dbraw/zinc/13/35/21/402133521.db2.gz LRZIFHVFELYEEX-BRWVUGGUSA-N 1 0 315.417 2.300 40 0 DEABRO CC1(C)[C@H](Cc2cc(CCO)on2)C[C@@H]1[NH2+]Cc1ccncc1 ZINC000067889760 402177479 /nfs/dbraw/zinc/17/74/79/402177479.db2.gz YZIMUANBWYYYQG-PBHICJAKSA-N 1 0 315.417 2.351 40 0 biogenic,in-vitro DEABRO Cn1cncc1C[N@@H+]1CC[C@]2(C[C@@H](Nc3ccccc3)CO2)C1 ZINC000107225914 402228110 /nfs/dbraw/zinc/22/81/10/402228110.db2.gz VUUQRELFKPBGIM-AEFFLSMTSA-N 1 0 312.417 2.266 40 0 DEABRO Fc1cnc(N[C@H]2CO[C@@]3(CC[N@H+](Cc4ccco4)C3)C2)nc1 ZINC000107226565 402228429 /nfs/dbraw/zinc/22/84/29/402228429.db2.gz YAIUFCVOWDLUER-CJNGLKHVSA-N 1 0 318.352 2.054 40 0 DEABRO O=C(NC1CC2(C1)CC[N@H+](Cc1ccncc1)C2)c1ccncc1 ZINC000108525819 402255448 /nfs/dbraw/zinc/25/54/48/402255448.db2.gz CYJVQYUOLXRMHV-UHFFFAOYSA-N 1 0 322.412 2.261 40 0 DEABRO O=C(NC1CC2(C1)CC[N@H+](Cc1cccnc1)C2)c1ccncc1 ZINC000108528849 402255489 /nfs/dbraw/zinc/25/54/89/402255489.db2.gz GIVZUBYXRYOFQJ-UHFFFAOYSA-N 1 0 322.412 2.261 40 0 DEABRO O=C(NCC1CC[NH+](C2COC2)CC1)OCc1ccccc1 ZINC000071792084 402277506 /nfs/dbraw/zinc/27/75/06/402277506.db2.gz SBGVNFVUXMGLDP-UHFFFAOYSA-N 1 0 304.390 2.024 40 0 DEABRO C[NH+]1CCN(c2ccc(NC(=O)c3cccs3)cc2N)CC1 ZINC000226263968 402326614 /nfs/dbraw/zinc/32/66/14/402326614.db2.gz YTXYKALDMBOPSE-UHFFFAOYSA-N 1 0 316.430 2.334 40 0 DEABRO Cc1cc(C(=O)N2Cc3ccnn3[C@H](CC[NH+](C)C)C2)c(C)o1 ZINC000248111388 402582542 /nfs/dbraw/zinc/58/25/42/402582542.db2.gz KIJDDEINUADPPP-OAHLLOKOSA-N 1 0 316.405 2.242 40 0 DEABRO Cc1cccc(C(=O)N2CC[C@]3(CC[N@@H+]3C[C@H]3CCCO3)C2)c1 ZINC000248143689 402583461 /nfs/dbraw/zinc/58/34/61/402583461.db2.gz GLVIVQROPZRUQB-MJGOQNOKSA-N 1 0 314.429 2.464 40 0 DEABRO O=C1OC2(CN1c1cccc([C@H]3CCC[NH2+]C3)n1)CCOCC2 ZINC000257222586 402705186 /nfs/dbraw/zinc/70/51/86/402705186.db2.gz DTXCUFATKMNNCF-ZDUSSCGKSA-N 1 0 317.389 2.054 40 0 DEABRO COc1ccc(C[NH+]2CCC3(CC2)OCCC[C@@H]3O)c(F)c1 ZINC000257225746 402705805 /nfs/dbraw/zinc/70/58/05/402705805.db2.gz FHOUVTQNGXGAOE-INIZCTEOSA-N 1 0 309.381 2.340 40 0 DEABRO O=C(CC[NH+]1CCCCCC1)N1CCO[C@H](c2ccncc2)C1 ZINC000257234833 402707111 /nfs/dbraw/zinc/70/71/11/402707111.db2.gz GVHCTTWFZSROEE-KRWDZBQOSA-N 1 0 317.433 2.248 40 0 DEABRO Cc1nc(Nc2ccc(F)c(F)c2)cc([C@@H]2C[NH2+]CCO2)n1 ZINC000257242220 402707662 /nfs/dbraw/zinc/70/76/62/402707662.db2.gz IBOLJNNJLVWJBG-AWEZNQCLSA-N 1 0 306.316 2.468 40 0 DEABRO CC(C)[NH+]1CCC(C(=O)N2CC[C@@]3(C)C[C@H](O)CC[C@@H]23)CC1 ZINC000257248965 402708121 /nfs/dbraw/zinc/70/81/21/402708121.db2.gz JGABVWKCEUKIAT-NUJGCVRESA-N 1 0 308.466 2.259 40 0 DEABRO CCCN1CCN(C(=O)c2cc([C@H]3CCC[N@@H+]3C)ccn2)CC1 ZINC000257257202 402709375 /nfs/dbraw/zinc/70/93/75/402709375.db2.gz KONCCMSVUMRTNG-QGZVFWFLSA-N 1 0 316.449 2.016 40 0 DEABRO CC(=O)N1C[C@H](c2ccccc2)[C@H]2C[N@H+](Cc3cnc[nH]3)CC[C@H]21 ZINC000257267956 402710940 /nfs/dbraw/zinc/71/09/40/402710940.db2.gz MJQNXZLTRQPXRF-GUDVDZBRSA-N 1 0 324.428 2.246 40 0 DEABRO COCC[NH+]1CCC(c2cc(-c3cc(C)[nH]n3)nc(C)n2)CC1 ZINC000257269744 402711307 /nfs/dbraw/zinc/71/13/07/402711307.db2.gz MRFDBUAAOFLCHO-UHFFFAOYSA-N 1 0 315.421 2.309 40 0 DEABRO Cc1nccc([C@@H]2CCC[N@@H+](Cc3cnc(N(C)C)nc3)C2)n1 ZINC000257331325 402712064 /nfs/dbraw/zinc/71/20/64/402712064.db2.gz XSJQOEZJAWYBNL-OAHLLOKOSA-N 1 0 312.421 2.021 40 0 DEABRO c1ccc(C[NH+]2CCC3(C[C@H](Cc4cnccn4)CO3)CC2)nc1 ZINC000257209012 402702956 /nfs/dbraw/zinc/70/29/56/402702956.db2.gz BOPUMAFQTUGDBM-INIZCTEOSA-N 1 0 324.428 2.485 40 0 DEABRO CC(=O)Nc1nc2c(s1)COCC21CC[NH+](C2CC2)CC1 ZINC000306132171 403950947 /nfs/dbraw/zinc/95/09/47/403950947.db2.gz LARGDFIUMLQPSH-UHFFFAOYSA-N 1 0 307.419 2.128 40 0 DEABRO CC(C)n1cnc([C@H]2C[N@H+](C)C[C@@]23CCN(CC2CC2)C3=O)c1 ZINC000306142147 403950997 /nfs/dbraw/zinc/95/09/97/403950997.db2.gz WRFXBDXVSCABTR-QAPCUYQASA-N 1 0 316.449 2.122 40 0 DEABRO O=C1OC2(CN1c1cc([C@H]3CCC[NH2+]C3)ccn1)CCOCC2 ZINC000257327601 304690867 /nfs/dbraw/zinc/69/08/67/304690867.db2.gz XCAKIPYMVYTEAW-AWEZNQCLSA-N 1 0 317.389 2.054 40 0 DEABRO O=C(Nc1cccnc1)[C@@H]1COC[C@H]2C[N@@H+](C3CCCC3)C[C@H]21 ZINC000097953315 332203468 /nfs/dbraw/zinc/20/34/68/332203468.db2.gz CJLOEOJBIOBKSB-KBRIMQKVSA-N 1 0 315.417 2.157 40 0 DEABRO Cc1cccc(CN2CC[C@@H]3[C@H]2CC[N@@H+]3CC2CCOCC2)n1 ZINC000306126609 534710686 /nfs/dbraw/zinc/71/06/86/534710686.db2.gz DZZWTRHPYZMMOQ-RTBURBONSA-N 1 0 315.461 2.465 40 0 DEABRO CN([C@H]1CCC[NH2+]C1)S(=O)(=O)c1ccc(Cl)cc1Cl ZINC000079440502 185171765 /nfs/dbraw/zinc/17/17/65/185171765.db2.gz WWJKPNOZHODGLN-JTQLQIEISA-N 1 0 323.245 2.366 40 0 DEABRO CC(C)N(CC[NH3+])[C@H]1CCCN(C(=O)OCc2ccccc2)C1 ZINC000079391831 185168505 /nfs/dbraw/zinc/16/85/05/185168505.db2.gz CWOWARLGPRVPDG-KRWDZBQOSA-N 1 0 319.449 2.457 40 0 DEABRO Cc1csc(Nc2cccc([C@H]3CCCN3C(=O)C[NH3+])n2)n1 ZINC000072382973 191142549 /nfs/dbraw/zinc/14/25/49/191142549.db2.gz AUGLQYRMLZXOJJ-GFCCVEGCSA-N 1 0 317.418 2.212 40 0 DEABRO CC[C@@H](C)NC(=O)c1ccccc1NC(=O)C1CC[NH+](C)CC1 ZINC000072849916 191238343 /nfs/dbraw/zinc/23/83/43/191238343.db2.gz KJSAIAVIDVDHPZ-CYBMUJFWSA-N 1 0 317.433 2.495 40 0 DEABRO COCC[NH2+][C@H](C)C(=O)Nc1ccc(Br)cc1 ZINC000004388766 181105986 /nfs/dbraw/zinc/10/59/86/181105986.db2.gz ZFRGUTSPBPJDEE-SECBINFHSA-N 1 0 301.184 2.012 40 0 DEABRO CCN(CC)c1ncc(C[N@@H+]2CCC[C@@](C)(C(=O)NC)C2)s1 ZINC000072346333 354900649 /nfs/dbraw/zinc/90/06/49/354900649.db2.gz WUIVUMIELNBDEZ-MRXNPFEDSA-N 1 0 324.494 2.337 40 0 DEABRO CCC[C@H](C)[N@@H+]1CCC[C@@]2(CN(c3ccc(=O)n(C)c3)C2=O)C1 ZINC000585099607 357332925 /nfs/dbraw/zinc/33/29/25/357332925.db2.gz SGKQGSAUJFFMBK-KSSFIOAISA-N 1 0 317.433 2.003 40 0 DEABRO Cc1cccc(O[C@@H]2CCC[C@H]([NH2+]C3CCOCC3)[C@H]2O)c1 ZINC000585289723 357344825 /nfs/dbraw/zinc/34/48/25/357344825.db2.gz WEKVHVRJPWUNDS-RCCFBDPRSA-N 1 0 305.418 2.424 40 0 DEABRO Cn1ccnc1C[NH2+][C@H]1CC[C@H](Oc2ccc(Cl)cc2)[C@@H]1O ZINC000585285792 357345064 /nfs/dbraw/zinc/34/50/64/357345064.db2.gz TYDRZUWLVKLXGQ-OFQRWUPVSA-N 1 0 321.808 2.134 40 0 DEABRO OC[C@@H]1[C@H](O)[C@@H](c2ccccc2)C[N@@H+]1Cc1ccc2[nH]ccc2c1 ZINC000585292143 357345911 /nfs/dbraw/zinc/34/59/11/357345911.db2.gz FFYRIHYETHMBHK-MISYRCLQSA-N 1 0 322.408 2.489 40 0 DEABRO CCCc1cc(C(=O)N2CCC[C@H]3[NH2+]CCC[C@@]32C)n(C)n1 ZINC000257299177 203024006 /nfs/dbraw/zinc/02/40/06/203024006.db2.gz RPAJESDTWNHEPI-WBVHZDCISA-N 1 0 304.438 2.119 40 0 DEABRO Cc1noc(C)c1CCC(=O)N1CC[NH2+]C[C@@H]1c1ccccc1 ZINC000257304590 203029109 /nfs/dbraw/zinc/02/91/09/203029109.db2.gz SMINOTYMMNGSCZ-QGZVFWFLSA-N 1 0 313.401 2.397 40 0 DEABRO Cc1noc(C)c1-c1cc(C2CCN(C(=O)C[NH3+])CC2)ccn1 ZINC000257304453 203029516 /nfs/dbraw/zinc/02/95/16/203029516.db2.gz SLSKJDHGFSXNSK-UHFFFAOYSA-N 1 0 314.389 2.018 40 0 DEABRO CCN1C(=O)CC[C@@H]2[N@H+](Cc3cnn(C)c3)CCCC[C@@]21C ZINC000257294517 203019399 /nfs/dbraw/zinc/01/93/99/203019399.db2.gz QUNNNDYLOMGSDI-RDJZCZTQSA-N 1 0 304.438 2.176 40 0 DEABRO COC[C@@H]1C(=O)NCC12CC[NH+](Cc1cc(C)ccc1C)CC2 ZINC000096208626 193583613 /nfs/dbraw/zinc/58/36/13/193583613.db2.gz MNMWOCCKEQXMIO-QGZVFWFLSA-N 1 0 316.445 2.278 40 0 DEABRO CCOc1ccc2ccccc2c1CNCC[NH2+]C[C@H](C)O ZINC000022076123 182308499 /nfs/dbraw/zinc/30/84/99/182308499.db2.gz OEOCENVLBMDJQG-AWEZNQCLSA-N 1 0 302.418 2.299 40 0 DEABRO OCC[NH2+]CCNCc1cccc(OCc2ccccc2F)c1 ZINC000023468464 182361254 /nfs/dbraw/zinc/36/12/54/182361254.db2.gz KBSQMJYCBMAGQG-UHFFFAOYSA-N 1 0 318.392 2.076 40 0 DEABRO O=C(c1cccs1)N1C[C@@H]([NH+]2CCCC2)[C@H]2OCCC[C@H]2C1 ZINC000096040601 284721647 /nfs/dbraw/zinc/72/16/47/284721647.db2.gz UCRMPNUFSAWITF-LZWOXQAQSA-N 1 0 320.458 2.464 40 0 DEABRO O=C1CO[C@H]2C[N@@H+](C3CCCCC3)C[C@H]2N1c1ccccc1 ZINC000067897049 296341175 /nfs/dbraw/zinc/34/11/75/296341175.db2.gz HGZPWDUCVRVULG-SJORKVTESA-N 1 0 300.402 2.435 40 0 biogenic,in-vitro DEABRO Cc1cc([C@@H](C)[NH3+])cnc1N1CCN(C(=O)OC(C)(C)C)CC1 ZINC000072222617 257123154 /nfs/dbraw/zinc/12/31/54/257123154.db2.gz DFHIIGAJFBUYMN-CYBMUJFWSA-N 1 0 320.437 2.467 40 0 DEABRO COc1cccc(OC)c1OC[C@H](O)C[NH+]1CCC(C)CC1 ZINC000001469941 401707768 /nfs/dbraw/zinc/70/77/68/401707768.db2.gz JTVSWQOBWROFQU-CQSZACIVSA-N 1 0 309.406 2.175 40 0 DEABRO CC[C@H](C)NC(=O)Cn1cccc2cc(C3CC[NH2+]CC3)nc1-2 ZINC000012241875 401782568 /nfs/dbraw/zinc/78/25/68/401782568.db2.gz NVWSHHMEGMQWFQ-ZDUSSCGKSA-N 1 0 314.433 2.370 40 0 DEABRO Cc1nn(-c2ccc(F)cc2)c2[nH]c(=O)c(C[NH2+]C3CC3)cc12 ZINC000012325242 401782944 /nfs/dbraw/zinc/78/29/44/401782944.db2.gz SAAAJGVHGAFDPD-UHFFFAOYSA-N 1 0 312.348 2.413 40 0 DEABRO COc1ccc(CSCC(=O)NC2CC[NH+](C)CC2)cc1 ZINC000113933098 401788321 /nfs/dbraw/zinc/78/83/21/401788321.db2.gz CBAOVVQAUQFMNU-UHFFFAOYSA-N 1 0 308.447 2.139 40 0 DEABRO Cc1cc2nc([C@@H]3CCC[N@H+](Cc4ccncc4)C3)cc(N)n2n1 ZINC000019129361 401821678 /nfs/dbraw/zinc/82/16/78/401821678.db2.gz YTULZVIRZWXXJO-OAHLLOKOSA-N 1 0 322.416 2.395 40 0 DEABRO COc1ccc(OC)c(NC(=O)N2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000027932340 401848820 /nfs/dbraw/zinc/84/88/20/401848820.db2.gz QFIWEWCTDNJTFH-LBPRGKRZSA-N 1 0 305.378 2.016 40 0 DEABRO c1ccc(C[N@@H+]2CC[C@]3(C[C@@H](Oc4ccccn4)CO3)C2)nc1 ZINC000096107826 402059528 /nfs/dbraw/zinc/05/95/28/402059528.db2.gz BOMNMWWQIUJSQY-AEFFLSMTSA-N 1 0 311.385 2.289 40 0 DEABRO Cn1cc(CN2C[C@@H]3C[NH+](Cc4cccc(F)c4)C[C@H]3C2)cn1 ZINC000096110650 402060546 /nfs/dbraw/zinc/06/05/46/402060546.db2.gz VKKQHANJDGATJF-IRXDYDNUSA-N 1 0 314.408 2.123 40 0 DEABRO COc1ncccc1CN1CCO[C@H]2[C@H](OCC3CC3)CC[C@@H]21 ZINC000096041588 402048781 /nfs/dbraw/zinc/04/87/81/402048781.db2.gz PTYWOOZGQHHYTD-GVDBMIGSSA-N 1 0 318.417 2.249 40 0 DEABRO CN(C)C(=O)[C@@H]1CCO[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000096043413 402049364 /nfs/dbraw/zinc/04/93/64/402049364.db2.gz LFOHHCKXTZMQFE-BRWVUGGUSA-N 1 0 302.418 2.002 40 0 DEABRO COCCN1C(=O)CC[C@]12CCC[N@H+](Cc1ccoc1)CC2 ZINC000096047515 402050479 /nfs/dbraw/zinc/05/04/79/402050479.db2.gz BDCKEEBAIICEMO-KRWDZBQOSA-N 1 0 306.406 2.273 40 0 DEABRO Cn1cc([C@H]2COC3(C2)CC[NH+](Cc2cccnc2)CC3)cn1 ZINC000096047804 402050718 /nfs/dbraw/zinc/05/07/18/402050718.db2.gz LSUOYHLRAFISSO-MRXNPFEDSA-N 1 0 312.417 2.354 40 0 DEABRO CC(C)[N@@H+]1CCOC[C@]2(CN(Cc3ccc(F)cc3)CCO2)C1 ZINC000096049729 402050796 /nfs/dbraw/zinc/05/07/96/402050796.db2.gz GRZLBLUZBKNOER-SFHVURJKSA-N 1 0 322.424 2.137 40 0 DEABRO c1cc(C[N@@H+]2CCC[C@]3(C[C@H](Nc4ncccn4)CO3)C2)co1 ZINC000096048335 402051195 /nfs/dbraw/zinc/05/11/95/402051195.db2.gz DBQXZXVFMHHACF-RDJZCZTQSA-N 1 0 314.389 2.305 40 0 DEABRO c1cc(C[N@@H+]2CC[C@]3(C[C@@H](Nc4ncccn4)CO3)C2)cs1 ZINC000096047714 402051278 /nfs/dbraw/zinc/05/12/78/402051278.db2.gz PABDGCHCXFCCED-ZBFHGGJFSA-N 1 0 316.430 2.384 40 0 DEABRO CC(C)NC(=O)[C@@H]1C[N@H+](Cc2ccco2)CC12CCOCC2 ZINC000096052087 402051960 /nfs/dbraw/zinc/05/19/60/402051960.db2.gz XDSCZTZCHGMHAP-HNNXBMFYSA-N 1 0 306.406 2.033 40 0 DEABRO CCOc1ncnc2c1CC[N@H+](Cc1ccc(OC)cc1)CC2 ZINC000096058760 402054041 /nfs/dbraw/zinc/05/40/41/402054041.db2.gz GNKOEPHNQHXQBL-UHFFFAOYSA-N 1 0 313.401 2.485 40 0 DEABRO Cc1ccc(C[N@@H+]2CCc3ncnc([C@H]4CCOC4)c3CC2)o1 ZINC000096058638 402054055 /nfs/dbraw/zinc/05/40/55/402054055.db2.gz DFIBGSSMTMMWMC-AWEZNQCLSA-N 1 0 313.401 2.483 40 0 DEABRO c1coc(C[NH2+]C[C@@H]2Cn3nnc(-c4ccccc4)c3CO2)c1 ZINC000096061069 402054832 /nfs/dbraw/zinc/05/48/32/402054832.db2.gz RUBHMJWZSADMDN-OAHLLOKOSA-N 1 0 310.357 2.227 40 0 DEABRO O=C([C@@H]1CCC2(CC[NH+](Cc3ccco3)CC2)O1)N1CCCC1 ZINC000096061221 402055063 /nfs/dbraw/zinc/05/50/63/402055063.db2.gz KQAUZWPGFLSHFW-INIZCTEOSA-N 1 0 318.417 2.416 40 0 DEABRO Fc1ccc(C[N@@H+]2CC[C@@]23CCN(Cc2cc[nH]n2)C3)cc1 ZINC000096076077 402056819 /nfs/dbraw/zinc/05/68/19/402056819.db2.gz PIBIDVUHKJECPM-QGZVFWFLSA-N 1 0 300.381 2.399 40 0 DEABRO COC[C@@H]1C(=O)NCC12CC[NH+](Cc1cccc(Cl)c1)CC2 ZINC000096208341 402069337 /nfs/dbraw/zinc/06/93/37/402069337.db2.gz SKZDXPPRXBWRQQ-OAHLLOKOSA-N 1 0 322.836 2.315 40 0 DEABRO c1coc(C[N@H+]2C[C@@H]3COC[C@]3(COc3ccccn3)C2)c1 ZINC000096209291 402070344 /nfs/dbraw/zinc/07/03/44/402070344.db2.gz VSNRMLICGNWSBB-PBHICJAKSA-N 1 0 300.358 2.202 40 0 DEABRO COC[C@H]1C[N@H+](C)C[C@@]12CCN(C(=O)c1ccc(F)c(F)c1)C2 ZINC000096218509 402070989 /nfs/dbraw/zinc/07/09/89/402070989.db2.gz OTXUGHFFAHLNTM-CXAGYDPISA-N 1 0 324.371 2.005 40 0 DEABRO Cc1ccc(C[N@H+]2C[C@H]3CN(C(=O)c4cscn4)C[C@H]3C2)o1 ZINC000096245496 402074129 /nfs/dbraw/zinc/07/41/29/402074129.db2.gz XCABEXJAPJJINF-BETUJISGSA-N 1 0 317.414 2.249 40 0 DEABRO c1nc(NCC2CC2)nc2c1COC[C@]21CC[N@H+](CC2CC2)C1 ZINC000096244110 402074255 /nfs/dbraw/zinc/07/42/55/402074255.db2.gz ZXCJMFALJJLKSC-GOSISDBHSA-N 1 0 314.433 2.182 40 0 DEABRO Cn1c2cc(C(=O)NCC[NH+]3CCCC3)n(C)c2c2ccccc21 ZINC000096264154 402076101 /nfs/dbraw/zinc/07/61/01/402076101.db2.gz LDXCCEFBFYHGBQ-UHFFFAOYSA-N 1 0 324.428 2.496 40 0 DEABRO O=C1C[C@H]2[C@@H](CC[N@@H+]2Cc2ccc3c(c2)OCO3)N1CC1CC1 ZINC000096183915 402065105 /nfs/dbraw/zinc/06/51/05/402065105.db2.gz BLVSXCMKVORHCY-CABCVRRESA-N 1 0 314.385 2.001 40 0 DEABRO O=C1CCCN1[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]2CCCO[C@H]12 ZINC000097953440 402133505 /nfs/dbraw/zinc/13/35/05/402133505.db2.gz ABDFZPVPBBTFBM-SCTDSRPQSA-N 1 0 314.429 2.288 40 0 DEABRO Cc1occc1C(=O)N1CCC2(CC1)C[C@H]([NH+](C)C)CCO2 ZINC000108534460 402256258 /nfs/dbraw/zinc/25/62/58/402256258.db2.gz SFSAPDPFZABWKJ-CQSZACIVSA-N 1 0 306.406 2.303 40 0 DEABRO C[C@@H](Oc1cccc2c1CCCC2)C(=O)NCCC[NH+](C)C ZINC000224473054 402314315 /nfs/dbraw/zinc/31/43/15/402314315.db2.gz BQBPITTUIOZNDQ-CQSZACIVSA-N 1 0 304.434 2.401 40 0 DEABRO COc1ccc([C@H]2[C@H]([NH3+])[C@@H](c3ccccc3)Nc3ncnn32)cc1 ZINC000169619929 402501720 /nfs/dbraw/zinc/50/17/20/402501720.db2.gz QAKWCDKFQTULHZ-ZACQAIPSSA-N 1 0 321.384 2.370 40 0 DEABRO c1ccc(C[NH+]2CCC3(C[C@@H](Cc4cnccn4)CO3)CC2)nc1 ZINC000257209013 402703372 /nfs/dbraw/zinc/70/33/72/402703372.db2.gz BOPUMAFQTUGDBM-MRXNPFEDSA-N 1 0 324.428 2.485 40 0 DEABRO CN1CCC([N@@H+]2CC[C@H](Oc3cccc(F)c3)[C@@](C)(O)C2)CC1 ZINC000257214799 402703896 /nfs/dbraw/zinc/70/38/96/402703896.db2.gz CNLPTLPVVCPWCI-ROUUACIJSA-N 1 0 322.424 2.124 40 0 DEABRO O=C(N[C@@H]1CCCC[C@@H]([NH+]2CCCC2)[C@@H]1O)c1ccc(F)cc1 ZINC000257228963 402706436 /nfs/dbraw/zinc/70/64/36/402706436.db2.gz FVZZIGZXFFAZPM-BRWVUGGUSA-N 1 0 320.408 2.323 40 0 DEABRO CC(=O)NCc1ccc([C@@H]2CCC[N@@H+]2Cc2ccncc2)nc1 ZINC000257250133 402708732 /nfs/dbraw/zinc/70/87/32/402708732.db2.gz JLDNDJDLCSJBKX-SFHVURJKSA-N 1 0 310.401 2.450 40 0 DEABRO O=C(Cc1cccs1)N[C@@H]1CCCC[C@@H]([NH+]2CCCC2)[C@@H]1O ZINC000257305891 402712038 /nfs/dbraw/zinc/71/20/38/402712038.db2.gz SRZKOYIZCHYYMY-BFYDXBDKSA-N 1 0 322.474 2.175 40 0 DEABRO Cn1cc(C[N@@H+]2CCOC[C@@H](Cc3cccc(F)c3)C2)cn1 ZINC000257209723 402702873 /nfs/dbraw/zinc/70/28/73/402702873.db2.gz BRQMMSSVFRDHHL-HNNXBMFYSA-N 1 0 303.381 2.250 40 0 DEABRO CN1Cc2ccccc2CC2(CC[NH+]([C@@H]3CCOC3)CC2)C1=O ZINC000096161316 276989095 /nfs/dbraw/zinc/98/90/95/276989095.db2.gz HBJGSGGBYWGABK-QGZVFWFLSA-N 1 0 314.429 2.072 40 0 DEABRO CC(=O)Nc1ccc(OC[C@@H](O)C[NH+]2CCCCCC2)cc1 ZINC000005043801 277080156 /nfs/dbraw/zinc/08/01/56/277080156.db2.gz PKRHEPSWIFIAOZ-INIZCTEOSA-N 1 0 306.406 2.261 40 0 DEABRO Clc1ccc2oc(-c3cnc(N4CC[NH2+]CC4)nc3)nc2c1 ZINC000003031004 279294412 /nfs/dbraw/zinc/29/44/12/279294412.db2.gz KIRDXCDFTNVWRS-UHFFFAOYSA-N 1 0 315.764 2.348 40 0 DEABRO COc1ccc2c3c1O[C@H]1[C@@H](OC)CC=C4[C@@H](C2)[N@@H+](C)CC[C@@]341 ZINC000034643615 295278607 /nfs/dbraw/zinc/27/86/07/295278607.db2.gz PIILEVDVSADGMN-UVDFWXMISA-N 1 0 313.397 2.299 40 0 biogenic,in-vitro DEABRO O=S1(=O)c2ccccc2[C@]2(CC[NH2+]C2)N1Cc1ccccc1 ZINC000107500636 304796897 /nfs/dbraw/zinc/79/68/97/304796897.db2.gz OSUUYGWCUYNAIB-QGZVFWFLSA-N 1 0 314.410 2.080 40 0 DEABRO CC[NH+](CC)C[C@H]1CN2CC[C@H]1C[C@@H]2CNC(=O)c1ccco1 ZINC000012602228 636065111 /nfs/dbraw/zinc/06/51/11/636065111.db2.gz QEYHVTNPDUSNFV-HRCADAONSA-N 1 0 319.449 2.062 40 0 biogenic,in-vitro DEABRO CC(C)(C)OC(=O)N1CC[C@@](O)(/C=C/c2ccccc2)[C@@H]([NH3+])C1 ZINC001547139773 1072598871 /nfs/dbraw/zinc/59/88/71/1072598871.db2.gz HWCDIWRBWBGUPO-REZMZDAPSA-N 1 0 318.417 2.399 40 0 DEABRO COC[C@H]1CC[N@H+](C)C2(CN(C(=O)c3ccc(F)cc3C)C2)C1 ZINC000306145021 231091682 /nfs/dbraw/zinc/09/16/82/231091682.db2.gz ZVIIFCSOXFKIRM-AWEZNQCLSA-N 1 0 320.408 2.317 40 0 DEABRO O=C1N[C@]2(C[C@H]3CC[C@@H]2N3Cc2ccncc2)Nc2ccccc21 ZINC000072327427 191123355 /nfs/dbraw/zinc/12/33/55/191123355.db2.gz DISJTXFLJNDMLU-LJHODMEESA-N 1 0 320.396 2.370 40 0 DEABRO CN(C)C(=O)c1c[nH]nc1[C@@H]1CC[N@H+](Cc2ccc(F)cc2)C1 ZINC000072369997 191139434 /nfs/dbraw/zinc/13/94/34/191139434.db2.gz MGCBVCNXTIBRLE-CYBMUJFWSA-N 1 0 316.380 2.240 40 0 DEABRO Cc1c[nH]nc1C1(C)CCN(C(=O)[C@H]2CCC[N@H+]2C(C)C)CC1 ZINC000072388938 191148608 /nfs/dbraw/zinc/14/86/08/191148608.db2.gz RWCUMUSZBWDYIK-OAHLLOKOSA-N 1 0 318.465 2.471 40 0 DEABRO COc1ccc(CCCNC(=O)C2CC[NH+](C)CC2)cc1OC ZINC000073082063 191277171 /nfs/dbraw/zinc/27/71/71/191277171.db2.gz CYPYQOMLYQLOBO-UHFFFAOYSA-N 1 0 320.433 2.094 40 0 DEABRO COCC(=O)N[C@@H]1c2ccccc2[C@@H]2C[N@@H+](CC(C)C)C[C@@H]21 ZINC000585109834 357335698 /nfs/dbraw/zinc/33/56/98/357335698.db2.gz ZCXRYYTZTABTHJ-XYJFISCASA-N 1 0 302.418 2.175 40 0 DEABRO COCC[N@@H+]1CCC[C@@H](c2cc(-c3cc(C)[nH]n3)nc(C)n2)C1 ZINC000257305908 203029117 /nfs/dbraw/zinc/02/91/17/203029117.db2.gz SSAUGYCWUYFIOF-CQSZACIVSA-N 1 0 315.421 2.309 40 0 DEABRO Cc1ncccc1O[C@@H]1CC[C@@H]2C[N@H+](Cc3cnccn3)C[C@H]12 ZINC000257305097 203030811 /nfs/dbraw/zinc/03/08/11/203030811.db2.gz SOKZGRDHGJZVOM-UWWQBHOKSA-N 1 0 310.401 2.469 40 0 DEABRO CN1C(=O)CO[C@H]2CC[N@@H+](Cc3ccccc3Cl)CC[C@@H]21 ZINC000257309110 203033736 /nfs/dbraw/zinc/03/37/36/203033736.db2.gz TZOLIHYNYATXPW-GJZGRUSLSA-N 1 0 308.809 2.162 40 0 DEABRO CNC(=O)c1c[nH]nc1[C@@H]1CC[N@H+](Cc2ccc(Cl)cc2)C1 ZINC000257308948 203034167 /nfs/dbraw/zinc/03/41/67/203034167.db2.gz TYWJUVCVHRDTDP-GFCCVEGCSA-N 1 0 318.808 2.412 40 0 DEABRO Cc1ccnc([C@H]2CC[N@H+](Cc3ccnc(N4CCCC4)n3)C2)n1 ZINC000257321569 203045363 /nfs/dbraw/zinc/04/53/63/203045363.db2.gz WCEZLGXMIFDWCF-HNNXBMFYSA-N 1 0 324.432 2.165 40 0 DEABRO Cc1ccsc1C(=O)N[C@@H]1CCC[C@@H]([NH+]2CCCC2)[C@@H]1O ZINC000257323449 203047544 /nfs/dbraw/zinc/04/75/44/203047544.db2.gz WKFHUJCUZHVQDR-MGPQQGTHSA-N 1 0 308.447 2.164 40 0 DEABRO O=C(c1cnc(C2CC2)nc1)N1CC[NH2+]C[C@H]1c1ccccc1 ZINC000257339839 203061885 /nfs/dbraw/zinc/06/18/85/203061885.db2.gz ZDLFXPSYMBCHIV-INIZCTEOSA-N 1 0 308.385 2.141 40 0 DEABRO O=C1C[C@@H](c2cccnc2)C2(CC[NH+](Cc3ccoc3)CC2)N1 ZINC000096199697 193576390 /nfs/dbraw/zinc/57/63/90/193576390.db2.gz HZLOSKFTSKVIDQ-INIZCTEOSA-N 1 0 311.385 2.313 40 0 DEABRO Cc1nc2c(c(=O)[nH]1)C[C@H]1CC[C@@H](C2)[N@@H+]1Cc1cccs1 ZINC000019286376 182112683 /nfs/dbraw/zinc/11/26/83/182112683.db2.gz TYXOECIHPVJNOM-NEPJUHHUSA-N 1 0 301.415 2.272 40 0 DEABRO Cc1nc2c(c(=O)[nH]1)C[C@H]1CC[C@@H](C2)[N@@H+]1Cc1ccsc1 ZINC000019286379 182112852 /nfs/dbraw/zinc/11/28/52/182112852.db2.gz MLAIKGLLMAIEMZ-OLZOCXBDSA-N 1 0 301.415 2.272 40 0 DEABRO O=C(CC1CCCC1)N1CCC[C@@H]1c1ncc2c(n1)CC[NH2+]C2 ZINC000019292342 182113888 /nfs/dbraw/zinc/11/38/88/182113888.db2.gz QUVVBGFQLNKFON-MRXNPFEDSA-N 1 0 314.433 2.366 40 0 DEABRO CCc1c(C)nc([C@H]2CCC[N@H+](Cc3ccncc3)C2)[nH]c1=O ZINC000019521561 182127304 /nfs/dbraw/zinc/12/73/04/182127304.db2.gz ZCXZKLYAULXOON-HNNXBMFYSA-N 1 0 312.417 2.415 40 0 DEABRO COc1cc(C)c(CN2C[C@@H]3CCC[N@@H+]3C[C@@H]2CCO)cc1C ZINC000019567211 182130481 /nfs/dbraw/zinc/13/04/81/182130481.db2.gz CQCRHWJZKHFBDI-ROUUACIJSA-N 1 0 318.461 2.343 40 0 DEABRO Cc1nn(C)cc1C[N@@H+]1CC[C@@H](c2nc(-c3ccncc3)no2)C1 ZINC000019583744 182132262 /nfs/dbraw/zinc/13/22/62/182132262.db2.gz YYRGCSQCMRMMDT-CQSZACIVSA-N 1 0 324.388 2.163 40 0 DEABRO C[NH+]1CCN(CCCNC(=O)/C=C/c2ccc(Cl)cc2)CC1 ZINC000022934736 182341744 /nfs/dbraw/zinc/34/17/44/182341744.db2.gz SMTRFSDEYIGPAP-VMPITWQZSA-N 1 0 321.852 2.107 40 0 DEABRO CCOc1ccc2[nH]c(=O)c(C[NH2+]CCN3CCCC3)cc2c1 ZINC000023247892 182354428 /nfs/dbraw/zinc/35/44/28/182354428.db2.gz LBQONXVKPZWFIZ-UHFFFAOYSA-N 1 0 315.417 2.112 40 0 DEABRO C[C@H]1CCC[N@H+](C[C@H](O)COCCOc2ccc(F)cc2)C1 ZINC000041690221 183217641 /nfs/dbraw/zinc/21/76/41/183217641.db2.gz FTGWBCGALZPYGI-HOCLYGCPSA-N 1 0 311.397 2.314 40 0 DEABRO CC(C)[C@@H](C[N@@H+]1CC[C@H](O)C1)N(C)C(=O)OCc1ccccc1 ZINC000044137875 183396499 /nfs/dbraw/zinc/39/64/99/183396499.db2.gz SBHVTOCGTFLEIN-DLBZAZTESA-N 1 0 320.433 2.346 40 0 DEABRO COC(=O)c1ccc(C)c(NC(=S)NC2CC[NH+](C)CC2)c1 ZINC000063143316 184273790 /nfs/dbraw/zinc/27/37/90/184273790.db2.gz SSDOTCQBUDRRHI-UHFFFAOYSA-N 1 0 321.446 2.162 40 0 DEABRO [NH3+]C[C@@H]1[C@H](c2cccc(F)c2)[C@H]1S(=O)(=O)c1ccccc1 ZINC000242648317 257120141 /nfs/dbraw/zinc/12/01/41/257120141.db2.gz QRVWNRYQMJGWOY-PMPSAXMXSA-N 1 0 305.374 2.340 40 0 DEABRO O=C(C[C@H](c1ccccc1)[C@@H]1CCCC[NH2+]1)N1CCOCC1 ZINC000072208331 257127867 /nfs/dbraw/zinc/12/78/67/257127867.db2.gz YRTFWNXRJFIOKG-SJORKVTESA-N 1 0 302.418 2.161 40 0 DEABRO O=C(C[C@@H](c1ccccc1)[C@H]1CCCC[NH2+]1)N1CCOCC1 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ZINC000096209803 402070301 /nfs/dbraw/zinc/07/03/01/402070301.db2.gz YMPCTCKOULBTRN-FVQBIDKESA-N 1 0 316.405 2.094 40 0 DEABRO c1ccc(O[C@@H]2CO[C@@]3(CC[N@@H+](Cc4ccncc4)C3)C2)nc1 ZINC000096218677 402071544 /nfs/dbraw/zinc/07/15/44/402071544.db2.gz ZTPFGWHFIKNIBD-WMZOPIPTSA-N 1 0 311.385 2.289 40 0 DEABRO O=C1N(CC2CC2)[C@H](c2ccccc2)C12CC[NH+](CCO)CC2 ZINC000096244758 402073975 /nfs/dbraw/zinc/07/39/75/402073975.db2.gz VBEVTIKTNCLADU-QGZVFWFLSA-N 1 0 314.429 2.054 40 0 DEABRO c1ccn(Cc2nnc3n2CC[N@@H+](Cc2cccs2)CC3)c1 ZINC000096259873 402075544 /nfs/dbraw/zinc/07/55/44/402075544.db2.gz XIKBFTCIIRHZRK-UHFFFAOYSA-N 1 0 313.430 2.248 40 0 DEABRO CC1=N[C@@]2(CC[C@@H]3C[N@@H+](CC(C)C)C[C@@H]32)C(=O)N1CC1CC1 ZINC000096261484 402076124 /nfs/dbraw/zinc/07/61/24/402076124.db2.gz XSHQNNHYSIINDE-SOLBZPMBSA-N 1 0 303.450 2.394 40 0 DEABRO COCC(=O)N1CCC2(C1)CC[NH+](Cc1ccc(C)cc1)CC2 ZINC000096157628 402063378 /nfs/dbraw/zinc/06/33/78/402063378.db2.gz AJUHOYHJPPMWBB-UHFFFAOYSA-N 1 0 316.445 2.456 40 0 DEABRO CC(C)C[N@@H+]1CC[C@@H]2[C@@H]1CCN2S(=O)(=O)c1cccs1 ZINC000096184281 402065030 /nfs/dbraw/zinc/06/50/30/402065030.db2.gz BFPGFQDWCSHIEG-QWHCGFSZSA-N 1 0 314.476 2.241 40 0 DEABRO COc1cccc(C[N@H+](C)[C@@H]2CCC[C@@H]3CN(C(N)=O)C[C@@H]32)c1 ZINC000096183131 402065247 /nfs/dbraw/zinc/06/52/47/402065247.db2.gz MBBSFDJRDCGLQW-HYVNUMGLSA-N 1 0 317.433 2.306 40 0 DEABRO c1cncc(C[N@H+]2C[C@@H]3COC[C@]3(COCC3CCC3)C2)c1 ZINC000096205870 402068686 /nfs/dbraw/zinc/06/86/86/402068686.db2.gz NYYYDULJDUSPFK-QZTJIDSGSA-N 1 0 302.418 2.347 40 0 DEABRO C[C@@H]1N(CC2CC2)C(=O)COC12CC[NH+](Cc1ccco1)CC2 ZINC000096201555 402068958 /nfs/dbraw/zinc/06/89/58/402068958.db2.gz MEVIYMRJHYFDKR-AWEZNQCLSA-N 1 0 318.417 2.272 40 0 DEABRO O=C(NC1CC1)[C@@H]1CC[C@@H]2[C@@H](CC[N@H+]2Cc2ccccc2F)O1 ZINC000107207163 402227491 /nfs/dbraw/zinc/22/74/91/402227491.db2.gz FVTSSBWMGISGMP-ZACQAIPSSA-N 1 0 318.392 2.226 40 0 DEABRO CN(Cc1ccccn1)[C@H]1CCC[C@@H]2C[N@@H+]([C@H]3CCOC3)C[C@@H]21 ZINC000107197463 402227569 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C[C@H]1CCCC[C@@H]1NC(=O)C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000170380156 402504707 /nfs/dbraw/zinc/50/47/07/402504707.db2.gz BOZXQSQZWPVDOX-JSGCOSHPSA-N 1 0 323.481 2.107 40 0 DEABRO COC[C@H]1C[N@H+](C)CC12CCN(C(=O)c1occc1C)CC2 ZINC000248135984 402583439 /nfs/dbraw/zinc/58/34/39/402583439.db2.gz OPWBOUFAURYJQH-CQSZACIVSA-N 1 0 306.406 2.018 40 0 DEABRO O=C1CCC[C@]2(C[N@@H+](C3CCOCC3)C[C@H]2c2ccccc2)N1 ZINC000257228832 402706132 /nfs/dbraw/zinc/70/61/32/402706132.db2.gz FVLHZJVBRKBIEN-PKOBYXMFSA-N 1 0 314.429 2.304 40 0 DEABRO Cc1cc(N(C)C)cc([C@@H]2CN(C(=O)CC3CC3)CCO2)[nH+]1 ZINC000257257906 402709248 /nfs/dbraw/zinc/70/92/48/402709248.db2.gz KROZEFGQKFWUGN-INIZCTEOSA-N 1 0 303.406 2.156 40 0 DEABRO c1ncc(C[N@H+]2C[C@@H]3[C@H](Nc4cccnn4)CC[C@@H]3C2)s1 ZINC000257261252 402709860 /nfs/dbraw/zinc/70/98/60/402709860.db2.gz LGJSXWWBOYNFPH-KWCYVHTRSA-N 1 0 301.419 2.256 40 0 DEABRO CNC(=O)c1cccc([C@H]2C[N@@H+](C3CCCC3)CCN2C)c1 ZINC000257271453 402711098 /nfs/dbraw/zinc/71/10/98/402711098.db2.gz MYKAHYLZBDJYCB-QGZVFWFLSA-N 1 0 301.434 2.277 40 0 DEABRO COc1cccc(C[C@H]2CC3(CO2)CC[NH+](CCO)CC3)c1 ZINC000257203463 402702658 /nfs/dbraw/zinc/70/26/58/402702658.db2.gz AQEFDWQELPUSBU-KRWDZBQOSA-N 1 0 305.418 2.101 40 0 DEABRO CCc1noc(CC)c1C[NH2+][C@H]1CCCC[C@H]1S(C)(=O)=O ZINC000183098363 402739026 /nfs/dbraw/zinc/73/90/26/402739026.db2.gz NVKTUXLOHACSRZ-DZGCQCFKSA-N 1 0 314.451 2.245 40 0 DEABRO COCCNC(=O)c1sc2ccccc2c1[C@H]1CC[NH2+]C1 ZINC000257219424 274036012 /nfs/dbraw/zinc/03/60/12/274036012.db2.gz DGSVHDISLDNAHT-NSHDSACASA-N 1 0 304.415 2.354 40 0 DEABRO CC[N@@H+]1CCC[C@@H]1CN(Cc1nccn1C)Cc1ccccn1 ZINC000019527181 276371262 /nfs/dbraw/zinc/37/12/62/276371262.db2.gz ARUMENPLZYFSKN-QGZVFWFLSA-N 1 0 313.449 2.302 40 0 DEABRO CNC(=O)c1cc2c(nc1NC(C)C)CC[N@H+](CC(C)C)CC2 ZINC000096260420 277255991 /nfs/dbraw/zinc/25/59/91/277255991.db2.gz LDBMTBXHVAYZBU-UHFFFAOYSA-N 1 0 318.465 2.318 40 0 DEABRO C[C@@H]([NH3+])c1nnc(-c2ccc(I)cc2)[nH]1 ZINC000095534667 278319060 /nfs/dbraw/zinc/31/90/60/278319060.db2.gz XTNMKICTXIAOQT-ZCFIWIBFSA-N 1 0 314.130 2.096 40 0 DEABRO CN(C)c1cc([C@@H]2CCCN2C(=O)CCC[NH+](C)C)ccn1 ZINC000257223274 289108175 /nfs/dbraw/zinc/10/81/75/289108175.db2.gz DWPSKEIMRWFFNN-HNNXBMFYSA-N 1 0 304.438 2.153 40 0 DEABRO CC[NH+](CC)C[C@H]1CCN(C(=O)Nc2c(C)nn(C)c2C)C1 ZINC001548453326 1072647627 /nfs/dbraw/zinc/64/76/27/1072647627.db2.gz FZOLKYYGMFIALT-CQSZACIVSA-N 1 0 307.442 2.233 40 0 DEABRO COC(=O)c1ccc(Cl)c(NC(=O)C2CC[NH+](C)CC2)c1 ZINC000074713399 185011701 /nfs/dbraw/zinc/01/17/01/185011701.db2.gz HLHHYXTZVDFZGM-UHFFFAOYSA-N 1 0 310.781 2.407 40 0 DEABRO CC(C)[N@H+](CCO)[C@H]1CCN(C(=O)OCc2ccccc2)C1 ZINC000079391699 185168511 /nfs/dbraw/zinc/16/85/11/185168511.db2.gz IWNADRRBQYAASW-INIZCTEOSA-N 1 0 306.406 2.100 40 0 DEABRO CN(C)[C@@H]1CC[N@H+](CC2CCOCC2)[C@H]1Cc1ccncc1 ZINC000096061740 282200935 /nfs/dbraw/zinc/20/09/35/282200935.db2.gz AJIJLYJOVIHCIP-MSOLQXFVSA-N 1 0 303.450 2.055 40 0 DEABRO Cc1cc(Nc2ccccn2)nc([C@H]2CCC[N@H+](CCO)C2)n1 ZINC000072359952 191130063 /nfs/dbraw/zinc/13/00/63/191130063.db2.gz UTEFZZHDOYLYOK-AWEZNQCLSA-N 1 0 313.405 2.095 40 0 DEABRO Cc1nonc1CNc1cccc(C[C@H]2CCC[NH2+]CC2)n1 ZINC000072365452 191134024 /nfs/dbraw/zinc/13/40/24/191134024.db2.gz JWKGOIZPAJQLHZ-ZDUSSCGKSA-N 1 0 301.394 2.317 40 0 DEABRO Cc1cc(N(C)C)cc(C2CCN(C(=O)c3cnco3)CC2)[nH+]1 ZINC000072368348 191137921 /nfs/dbraw/zinc/13/79/21/191137921.db2.gz CGKNUYDZZGPYDW-UHFFFAOYSA-N 1 0 314.389 2.464 40 0 DEABRO CN(C)C(=O)c1c[nH]nc1[C@H]1CC[N@H+](Cc2ccc(F)cc2)C1 ZINC000072369998 191140059 /nfs/dbraw/zinc/14/00/59/191140059.db2.gz MGCBVCNXTIBRLE-ZDUSSCGKSA-N 1 0 316.380 2.240 40 0 DEABRO CN(C)C(=O)c1cc([C@@H]2CC[N@H+](CCc3ccccc3)C2)n[nH]1 ZINC000019707796 354045087 /nfs/dbraw/zinc/04/50/87/354045087.db2.gz GNIZDPUAWPQYNY-OAHLLOKOSA-N 1 0 312.417 2.144 40 0 DEABRO C[NH2+]Cc1cccc(CN2CCN(C(=O)OC(C)(C)C)CC2)c1 ZINC000004277324 181091236 /nfs/dbraw/zinc/09/12/36/181091236.db2.gz 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0 DEABRO CC[NH+](CC)C[C@@H]1CN(CC2CCOCC2)Cc2cncn21 ZINC000248253560 402585744 /nfs/dbraw/zinc/58/57/44/402585744.db2.gz NFRKXXNHQQMBIP-QGZVFWFLSA-N 1 0 306.454 2.008 40 0 DEABRO CNc1cc(C)[nH+]c([C@H]2CCN(S(=O)(=O)C3CCCC3)C2)c1 ZINC000257258371 402709324 /nfs/dbraw/zinc/70/93/24/402709324.db2.gz KTOQFHDYEFSLAF-ZDUSSCGKSA-N 1 0 323.462 2.493 40 0 DEABRO C[C@@]12C[C@H](CNC(=O)c3ccccc3F)[NH2+][C@@H]1CCCC[C@@H]2O ZINC000257271401 402711342 /nfs/dbraw/zinc/71/13/42/402711342.db2.gz MYDYIIDHOPLLSU-GMLZMKKNSA-N 1 0 320.408 2.227 40 0 DEABRO COc1ccc(F)cc1C(=O)N1CC[C@H]2[NH2+]CCCC[C@H]2C1 ZINC000257271428 402711380 /nfs/dbraw/zinc/71/13/80/402711380.db2.gz MYHBXUGITJPMLR-SWLSCSKDSA-N 1 0 306.381 2.439 40 0 DEABRO CNc1cc(CC2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)ncn1 ZINC000257291983 402712310 /nfs/dbraw/zinc/71/23/10/402712310.db2.gz QJMLAIOOVJRSBI-HOTGVXAUSA-N 1 0 304.438 2.076 40 0 DEABRO Cc1c[nH]nc1[C@H]1CC[N@H+](Cc2ccnc(N3CCCC3)n2)C1 ZINC000257204919 402702331 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CC(=O)Nc1ccc(OC[C@@H](O)C[NH+]2C[C@@H](C)C[C@H](C)C2)cc1 ZINC000006455824 277080595 /nfs/dbraw/zinc/08/05/95/277080595.db2.gz VRBMFTHOXXVRCP-ZQIUZPCESA-N 1 0 320.433 2.363 40 0 DEABRO C[C@H](Oc1ccc2c(c1)CCCC2)C(=O)NCCC[NH+](C)C ZINC000222897330 333405196 /nfs/dbraw/zinc/40/51/96/333405196.db2.gz FXNZWDMHHRQUFA-AWEZNQCLSA-N 1 0 304.434 2.401 40 0 DEABRO c1cc2n(n1)[C@H](CCOCC1CC1)C[N@H+](CC1CCOCC1)C2 ZINC000306134556 534476370 /nfs/dbraw/zinc/47/63/70/534476370.db2.gz NRPRUDHCJXLNNU-GOSISDBHSA-N 1 0 319.449 2.483 40 0 DEABRO CN(C(=O)OCc1ccccc1)[C@H]1CCCC[C@@H]1[NH2+]CCO ZINC000079411001 185169809 /nfs/dbraw/zinc/16/98/09/185169809.db2.gz SPNCDUKKHPBKJA-HOTGVXAUSA-N 1 0 306.406 2.148 40 0 DEABRO CN(CC[NH3+])[C@@H]1CCCC[C@@H]1NC(=O)OCc1ccccc1 ZINC000079391765 185168358 /nfs/dbraw/zinc/16/83/58/185168358.db2.gz MEDSNDTYPPVGSY-JKSUJKDBSA-N 1 0 305.422 2.115 40 0 DEABRO Cc1noc(C)c1C[N@@H+]1CC[C@H]2OCCN(CC3CC3)[C@@H]2CC1 ZINC000096249308 282384550 /nfs/dbraw/zinc/38/45/50/282384550.db2.gz 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/nfs/dbraw/zinc/27/77/94/191277794.db2.gz SRVDIOWUVPLEGF-HNNXBMFYSA-N 1 0 320.433 2.094 40 0 DEABRO CC[NH+](CC)C[C@H](C)NC(=O)CCn1nc(C)c(Cl)c1C ZINC000002781812 180956863 /nfs/dbraw/zinc/95/68/63/180956863.db2.gz KENSMHUZZBQAHO-NSHDSACASA-N 1 0 314.861 2.390 40 0 DEABRO CN(C)C(=O)c1cc([C@H]2CC[N@H+](CCc3ccccc3)C2)n[nH]1 ZINC000019707797 354045349 /nfs/dbraw/zinc/04/53/49/354045349.db2.gz GNIZDPUAWPQYNY-HNNXBMFYSA-N 1 0 312.417 2.144 40 0 DEABRO CC(C)(C)OC(=O)N1CCC(Oc2cccc(NN)[nH+]2)CC1 ZINC000039957374 354169783 /nfs/dbraw/zinc/16/97/83/354169783.db2.gz JVSPGPLSEYETNW-UHFFFAOYSA-N 1 0 308.382 2.146 40 0 DEABRO Cc1cnn(C)c1C[N@@H+]1CC[C@](O)(COc2ccccc2C)C1 ZINC000585277747 357343320 /nfs/dbraw/zinc/34/33/20/357343320.db2.gz OWMBHRLOLYVFRO-GOSISDBHSA-N 1 0 315.417 2.053 40 0 DEABRO Cc1ccc(C[N@@H+]2C[C@H](c3ccccc3C)[C@@H](O)[C@H]2CO)cn1 ZINC000585294760 357345585 /nfs/dbraw/zinc/34/55/85/357345585.db2.gz JMAVIBPTTOFHAU-GUDVDZBRSA-N 1 0 312.413 2.020 40 0 DEABRO CC(C)[NH+]1CCC(Cc2nccnc2N2C[C@@H](C)OC2=O)CC1 ZINC000257254497 202987111 /nfs/dbraw/zinc/98/71/11/202987111.db2.gz KDHQMMAHIJBYGG-CYBMUJFWSA-N 1 0 318.421 2.485 40 0 DEABRO C[N@@H+]1CCCN(Cc2cnc([C@]3(C)CCCCO3)nc2)CC1 ZINC000257314489 203039336 /nfs/dbraw/zinc/03/93/36/203039336.db2.gz UXFSGUGFTHWDPD-KRWDZBQOSA-N 1 0 304.438 2.030 40 0 DEABRO Cc1c[nH]c([C@@H]2CCN(C(=O)c3ccc(C[NH+](C)C)cc3)C2)n1 ZINC000257317331 203040883 /nfs/dbraw/zinc/04/08/83/203040883.db2.gz VJIKCMKSAFWUTK-MRXNPFEDSA-N 1 0 312.417 2.409 40 0 DEABRO Cc1ncsc1CN1CCO[C@@H](CCc2cc[nH+]c(N)c2)C1 ZINC000257319823 203043276 /nfs/dbraw/zinc/04/32/76/203043276.db2.gz VUFBNSBHZYUTEW-AWEZNQCLSA-N 1 0 318.446 2.262 40 0 DEABRO NC(=O)C[NH+]1CCC2(CO[C@@H](Cc3ccccc3Cl)C2)CC1 ZINC000257321502 203044323 /nfs/dbraw/zinc/04/43/23/203044323.db2.gz WBXZBQLZGBTTCH-AWEZNQCLSA-N 1 0 322.836 2.239 40 0 DEABRO CN(c1cccnn1)[C@@H]1CC[C@@H]2C[N@H+](Cc3ccncc3)C[C@H]12 ZINC000257341422 203062626 /nfs/dbraw/zinc/06/26/26/203062626.db2.gz ZKFDWAJXYQPQLQ-IXDOHACOSA-N 1 0 309.417 2.218 40 0 DEABRO COc1ccc(-c2noc([C@@H]3C[C@@H](O)CN3C(C)C)n2)cc1 ZINC000015674712 182011660 /nfs/dbraw/zinc/01/16/60/182011660.db2.gz WRHVAGVJOSWAPJ-OCCSQVGLSA-N 1 0 303.362 2.261 40 0 biogenic,in-vitro DEABRO COc1ccc(-c2noc([C@@H]3C[C@@H](O)C[N@@H+]3CC3CC3)n2)cc1 ZINC000015674720 182011905 /nfs/dbraw/zinc/01/19/05/182011905.db2.gz IFQDJIZRDADNAR-HIFRSBDPSA-N 1 0 315.373 2.263 40 0 biogenic,in-vitro DEABRO Cc1ccc(C2(O)CC[NH+](CCNC(=O)[C@@H]3C[C@H]3C)CC2)cc1 ZINC000019208574 182107561 /nfs/dbraw/zinc/10/75/61/182107561.db2.gz XHIRYQMXWMLIFV-NVXWUHKLSA-N 1 0 316.445 2.051 40 0 DEABRO O=C(C1CCCCC1)N1CCc2nc([C@@H]3CCC[NH2+]3)ncc2C1 ZINC000019292318 182113713 /nfs/dbraw/zinc/11/37/13/182113713.db2.gz IPIOYJZHPVQVNK-INIZCTEOSA-N 1 0 314.433 2.366 40 0 DEABRO O=c1oc2ccccc2n1[C@@H]1CCCN(CC[NH+]2CCCC2)C1 ZINC000019376626 182120967 /nfs/dbraw/zinc/12/09/67/182120967.db2.gz NGGNYGZRYIDYCM-OAHLLOKOSA-N 1 0 315.417 2.327 40 0 DEABRO Cc1nc(N2CCN(C(=O)OC(C)(C)C)CC2)ccc1[C@H](C)[NH3+] ZINC000072224705 257123690 /nfs/dbraw/zinc/12/36/90/257123690.db2.gz FIJMDIZTHHNBCA-LBPRGKRZSA-N 1 0 320.437 2.467 40 0 DEABRO CC(C)(C)[NH2+]C[C@@H](CN1CCOCC1)C(=O)c1ccccc1 ZINC000001581613 401708524 /nfs/dbraw/zinc/70/85/24/401708524.db2.gz GXARQECPYTZJAV-INIZCTEOSA-N 1 0 304.434 2.206 40 0 DEABRO O=C1NC[C@]2(CCC[N@H+](Cc3ccncc3)C2)Oc2ccccc21 ZINC000072328091 401709428 /nfs/dbraw/zinc/70/94/28/401709428.db2.gz XYJKTJYBTZXRLG-IBGZPJMESA-N 1 0 323.396 2.239 40 0 DEABRO Cc1cc2c(s1)c1cnn(CC[NH+]3CCCC3)c(=O)c1n2C ZINC000012113542 401779346 /nfs/dbraw/zinc/77/93/46/401779346.db2.gz SXWQBFNDEUBJFM-UHFFFAOYSA-N 1 0 316.430 2.354 40 0 DEABRO CC[C@H](Oc1cccc(OC)c1)C(=O)NC1CC[NH+](C)CC1 ZINC000113951430 401788630 /nfs/dbraw/zinc/78/86/30/401788630.db2.gz JKRYROOSRWQEIH-INIZCTEOSA-N 1 0 306.406 2.063 40 0 DEABRO CC(C)(C)OC(=O)Nc1ccc(C(=O)N2CC[NH2+]CC2)cc1 ZINC000036470091 401905576 /nfs/dbraw/zinc/90/55/76/401905576.db2.gz OOSDQQQVRDJXHJ-UHFFFAOYSA-N 1 0 305.378 2.079 40 0 DEABRO COc1cccc(C(=O)NCC[NH+]2C[C@@H](C)C[C@H](C)C2)c1OC ZINC000046882614 401974625 /nfs/dbraw/zinc/97/46/25/401974625.db2.gz IVLABNYEXCOFJT-KBPBESRZSA-N 1 0 320.433 2.412 40 0 DEABRO CN(C)C(=O)N1CC[C@@]2(C1)CCC[N@H+](Cc1ccccn1)C2 ZINC000096046969 402050273 /nfs/dbraw/zinc/05/02/73/402050273.db2.gz LOWKTAVMTXEYOK-KRWDZBQOSA-N 1 0 302.422 2.051 40 0 DEABRO O=C(c1cnccn1)N1CCC2(CC1)CC[NH+](CC1CC1)CC2 ZINC000096047321 402050429 /nfs/dbraw/zinc/05/04/29/402050429.db2.gz MPUYSEHYBYWTRR-UHFFFAOYSA-N 1 0 314.433 2.205 40 0 DEABRO CC(C)CN1CCC2(CC[NH+](CC3CCOCC3)CC2)C1=O ZINC000096046778 402050586 /nfs/dbraw/zinc/05/05/86/402050586.db2.gz PLDOBISWFSDZEE-UHFFFAOYSA-N 1 0 308.466 2.384 40 0 DEABRO O=C1C[C@]2(CC[N@H+](CC3CC3)C2)CN1c1ccc2c(c1)OCO2 ZINC000096050783 402051621 /nfs/dbraw/zinc/05/16/21/402051621.db2.gz RRUSEBMYFNTBCB-SFHVURJKSA-N 1 0 314.385 2.254 40 0 DEABRO Cc1noc(C)c1CN1C[C@]2(CC[N@H+](CC3CC3)C2)CC1=O ZINC000096050959 402051942 /nfs/dbraw/zinc/05/19/42/402051942.db2.gz CKRPMCWRJYMXJF-QGZVFWFLSA-N 1 0 303.406 2.126 40 0 DEABRO O=C1[C@H]2C[N@H+](Cc3ccoc3)C[C@@H]2CCN1Cc1cccnc1 ZINC000096054631 402052522 /nfs/dbraw/zinc/05/25/22/402052522.db2.gz KXVRCCDITZPYBK-IRXDYDNUSA-N 1 0 311.385 2.155 40 0 DEABRO Cc1ccc(C[N@@H+]2C[C@@H](C(=O)NC3CC3)C[C@H]3OCC[C@H]32)s1 ZINC000096057660 402053261 /nfs/dbraw/zinc/05/32/61/402053261.db2.gz QCXLXHKJXVSOGM-APHBMKBZSA-N 1 0 320.458 2.315 40 0 DEABRO O=C([C@H]1C[C@H]2OCC[C@H]2[N@H+](Cc2ccsc2)C1)N1CCCC1 ZINC000096057603 402053281 /nfs/dbraw/zinc/05/32/81/402053281.db2.gz DOBJOPKMQYKKPZ-ARFHVFGLSA-N 1 0 320.458 2.350 40 0 DEABRO O=C(NC1CC1)[C@@H]1CCO[C@@H]2CC[N@H+](Cc3cccs3)C[C@H]21 ZINC000096058282 402054459 /nfs/dbraw/zinc/05/44/59/402054459.db2.gz NSEOJXIVYNSXHM-OWCLPIDISA-N 1 0 320.458 2.254 40 0 DEABRO COC[C@H]1CCC2(CCN(Cc3c(C)noc3C)CC2)[N@@H+]1C ZINC000096208076 402069779 /nfs/dbraw/zinc/06/97/79/402069779.db2.gz NUROAEONMCCNRD-OAHLLOKOSA-N 1 0 307.438 2.367 40 0 DEABRO CS(=O)(=O)N1CCC[C@]12CCC[N@H+](Cc1ccsc1)C2 ZINC000096215010 402070693 /nfs/dbraw/zinc/07/06/93/402070693.db2.gz MIZFLAJWNJLYIP-AWEZNQCLSA-N 1 0 314.476 2.138 40 0 DEABRO Cn1cncc1C[N@@H+]1CC[C@]2(C[C@H](Nc3ccccc3)CO2)C1 ZINC000096218813 402070975 /nfs/dbraw/zinc/07/09/75/402070975.db2.gz VUUQRELFKPBGIM-WMZOPIPTSA-N 1 0 312.417 2.266 40 0 DEABRO CCc1cnc(N2CCC3(C[C@H]([NH+]4CCCC4)CO3)CC2)nc1 ZINC000096220749 402072009 /nfs/dbraw/zinc/07/20/09/402072009.db2.gz JSPBPUWITRXNKK-INIZCTEOSA-N 1 0 316.449 2.263 40 0 DEABRO CC[N@@H+]1C[C@H](COC)[C@]2(CCN(C(=O)CC3CCCC3)C2)C1 ZINC000096220098 402072202 /nfs/dbraw/zinc/07/22/02/402072202.db2.gz GDMQVBRYGKSGSP-SJLPKXTDSA-N 1 0 308.466 2.384 40 0 DEABRO O=C1N(c2cncnc2)CC[C@@]12CCC[N@H+](Cc1ccccc1)C2 ZINC000096224579 402072820 /nfs/dbraw/zinc/07/28/20/402072820.db2.gz NFBQCYZMZPHJST-LJQANCHMSA-N 1 0 322.412 2.496 40 0 DEABRO O=C1N(CC2CC2)[C@@H](c2ccccc2)C12CC[NH+](CCO)CC2 ZINC000096244759 402073893 /nfs/dbraw/zinc/07/38/93/402073893.db2.gz VBEVTIKTNCLADU-KRWDZBQOSA-N 1 0 314.429 2.054 40 0 DEABRO Cc1cccc(C[N@@H+]2CCc3ncnc(N4CCCC4)c3CC2)n1 ZINC000096255445 402075492 /nfs/dbraw/zinc/07/54/92/402075492.db2.gz JQVJMDOXMWPLKS-UHFFFAOYSA-N 1 0 323.444 2.381 40 0 DEABRO C[NH+](C)[C@H]1COC2(C1)CCN(C(=O)c1ccc(F)cc1)CC2 ZINC000096158627 402063337 /nfs/dbraw/zinc/06/33/37/402063337.db2.gz SUUHEBCYMKSFJN-OAHLLOKOSA-N 1 0 306.381 2.151 40 0 DEABRO O=C(c1cccs1)N1CC[C@H]2[C@H]1CC[N@@H+]2CC1CCOCC1 ZINC000096184461 402065503 /nfs/dbraw/zinc/06/55/03/402065503.db2.gz KMUPNVPWPUWTJF-LSDHHAIUSA-N 1 0 320.458 2.464 40 0 DEABRO c1coc(C[N@@H+]2C[C@H](Oc3cccnc3)[C@H]3OCCC[C@H]32)c1 ZINC000096187089 402066025 /nfs/dbraw/zinc/06/60/25/402066025.db2.gz ZXMXPUKQUOWUER-IKGGRYGDSA-N 1 0 300.358 2.485 40 0 DEABRO COCCn1c(=O)ccc2c1CC[C@@H]([NH2+]Cc1ccsc1)C2 ZINC000096189661 402066826 /nfs/dbraw/zinc/06/68/26/402066826.db2.gz KSKDDABBYRKQPK-OAHLLOKOSA-N 1 0 318.442 2.203 40 0 DEABRO c1csc(C[N@@H+]2CC[C@@]3(C2)COCCN([C@@H]2CCOC2)C3)c1 ZINC000096202182 402068728 /nfs/dbraw/zinc/06/87/28/402068728.db2.gz XGZSTFVDFDCHJZ-WBVHZDCISA-N 1 0 322.474 2.061 40 0 DEABRO O=C1N(c2ccc3c(c2)OCO3)CC12CC[NH+](CC1CC1)CC2 ZINC000096202982 402068773 /nfs/dbraw/zinc/06/87/73/402068773.db2.gz SFQCZRLGJJBENC-UHFFFAOYSA-N 1 0 314.385 2.254 40 0 DEABRO c1ccc(O[C@H]2CC[C@H]3[C@H]2OCCN3Cc2cccnc2)nc1 ZINC000097953761 402133674 /nfs/dbraw/zinc/13/36/74/402133674.db2.gz HFVCTYSAKDHUFN-XYJFISCASA-N 1 0 311.385 2.287 40 0 DEABRO O=C(NCC1CC1)[C@H]1C[C@H]2[C@H](CC[N@@H+]2Cc2ccsc2)O1 ZINC000107198092 402227256 /nfs/dbraw/zinc/22/72/56/402227256.db2.gz GPMCJSKMVBGHFO-SOUVJXGZSA-N 1 0 306.431 2.006 40 0 DEABRO COC[C@H]1CC[C@H]2[C@H](CC[N@@H+]2Cc2ccc3c(c2)OCO3)O1 ZINC000107206276 402227594 /nfs/dbraw/zinc/22/75/94/402227594.db2.gz VGAQWNLIUUZNBX-ILXRZTDVSA-N 1 0 305.374 2.184 40 0 DEABRO O=C(C[C@H]1[C@H]2C[N@@H+](Cc3cccnc3)C[C@@H]12)NCc1ccco1 ZINC000107253914 402228697 /nfs/dbraw/zinc/22/86/97/402228697.db2.gz SJGLWGLTHSMDHQ-BJWYYQGGSA-N 1 0 311.385 2.059 40 0 DEABRO c1csc(C[N@@H+]2CC[C@]3(C[C@@H](Nc4cnccn4)CO3)C2)c1 ZINC000107786043 402240312 /nfs/dbraw/zinc/24/03/12/402240312.db2.gz HGXPZIRZDGMRHM-CJNGLKHVSA-N 1 0 316.430 2.384 40 0 DEABRO Cc1ccc(C(=O)N2Cc3cncn3[C@H](C[NH+]3CCCC3)C2)o1 ZINC000247901625 402577993 /nfs/dbraw/zinc/57/79/93/402577993.db2.gz IVZAHLZKYHATDR-OAHLLOKOSA-N 1 0 314.389 2.077 40 0 DEABRO CN(c1cnccn1)[C@@H]1CC[C@@H]2C[N@H+](Cc3cncs3)C[C@H]12 ZINC000257223881 402705193 /nfs/dbraw/zinc/70/51/93/402705193.db2.gz DZIITJYNTFXFBP-VHDGCEQUSA-N 1 0 315.446 2.280 40 0 DEABRO [NH3+]Cc1cn(-c2ccccc2C(=O)NCc2ccc(F)cc2)cn1 ZINC000257234920 402706880 /nfs/dbraw/zinc/70/68/80/402706880.db2.gz GVPOMRANKZWXQC-UHFFFAOYSA-N 1 0 324.359 2.400 40 0 DEABRO COc1ccc(C[C@@H]2COCC[N@H+](Cc3cncn3C)C2)cc1 ZINC000257238485 402706905 /nfs/dbraw/zinc/70/69/05/402706905.db2.gz HLEGPXJBXDWHNL-INIZCTEOSA-N 1 0 315.417 2.120 40 0 DEABRO Nc1cc(CC[C@@H]2CN(Cc3ncccc3F)CCO2)cc[nH+]1 ZINC000257250063 402708293 /nfs/dbraw/zinc/70/82/93/402708293.db2.gz JKVSHGDMQLXZJA-CQSZACIVSA-N 1 0 316.380 2.032 40 0 DEABRO C[C@]12C[C@@H](Cc3ccccc3)N(C(=O)CO)[C@H]1CCCCC[NH2+]2 ZINC000257250393 402708767 /nfs/dbraw/zinc/70/87/67/402708767.db2.gz JMIQQEAJTJOGOJ-AOIWGVFYSA-N 1 0 316.445 2.113 40 0 DEABRO COc1ccc([C@@H]2C[NH2+]CCN2C(=O)c2ccc(C)nc2)cc1 ZINC000257282268 402711585 /nfs/dbraw/zinc/71/15/85/402711585.db2.gz OTBOCOVSJXHUHI-KRWDZBQOSA-N 1 0 311.385 2.185 40 0 DEABRO C[N@@H+]1CCCN(C(=O)N[C@@H]2CCCOc3c(F)cccc32)CC1 ZINC000272516311 402947064 /nfs/dbraw/zinc/94/70/64/402947064.db2.gz NCVVFLFICXEPCH-OAHLLOKOSA-N 1 0 321.396 2.387 40 0 DEABRO CNc1cc(N2CCc3cc(C(=O)OC)ccc3C2)nc(C)[nH+]1 ZINC000328972689 404186359 /nfs/dbraw/zinc/18/63/59/404186359.db2.gz DXXMSGRSJWYWOM-UHFFFAOYSA-N 1 0 312.373 2.176 40 0 DEABRO CCS(=O)(=O)[C@H](C)[C@@H]([NH3+])c1ccc(Br)cc1 ZINC000096524814 280028996 /nfs/dbraw/zinc/02/89/96/280028996.db2.gz CVBJEZKZUVHGJG-LDYMZIIASA-N 1 0 306.225 2.272 40 0 DEABRO C[C@H]1N(C)C(=O)COC12CC[NH+](Cc1ccc(F)cc1)CC2 ZINC000096201506 280037322 /nfs/dbraw/zinc/03/73/22/280037322.db2.gz XYDRMGLHCOXCBH-CYBMUJFWSA-N 1 0 306.381 2.037 40 0 DEABRO O=C1CCCN1[C@@H]1C[N@H+](CCc2ccccc2)[C@@H]2CCCO[C@H]12 ZINC000107204027 280253102 /nfs/dbraw/zinc/25/31/02/280253102.db2.gz DUNOEMKAVNRYCY-LMMKCTJWSA-N 1 0 314.429 2.083 40 0 DEABRO Cc1nc(C(=O)NC2CCCCC2)cc([C@H]2CCC[NH2+]C2)n1 ZINC000072365567 293178121 /nfs/dbraw/zinc/17/81/21/293178121.db2.gz DTUOVYOHDKCGKI-ZDUSSCGKSA-N 1 0 302.422 2.315 40 0 DEABRO [NH3+]C[C@@H]1[C@H](c2cccc(F)c2)[C@@H]1S(=O)(=O)c1ccccc1 ZINC000218629858 340497124 /nfs/dbraw/zinc/49/71/24/340497124.db2.gz QRVWNRYQMJGWOY-OWCLPIDISA-N 1 0 305.374 2.340 40 0 DEABRO CC[N@@H+]1CC[C@]2(c3ccccc3)CCN(C(=O)N(C)C)C[C@@H]12 ZINC000306129726 527903626 /nfs/dbraw/zinc/90/36/26/527903626.db2.gz ILBFFHGIWYITEZ-SJLPKXTDSA-N 1 0 301.434 2.406 40 0 DEABRO CCCCN1NC2(CC[NH+](Cc3ccccc3)CC2)NC1=S ZINC000225350252 201696693 /nfs/dbraw/zinc/69/66/93/201696693.db2.gz UHERPBWNZCZCRI-UHFFFAOYSA-N 1 0 318.490 2.474 40 0 DEABRO CCN(C(=O)OCc1ccccc1)[C@H]1CCCN(CC[NH3+])C1 ZINC000079411579 185169867 /nfs/dbraw/zinc/16/98/67/185169867.db2.gz AHPMNZWTROIHIK-INIZCTEOSA-N 1 0 305.422 2.068 40 0 DEABRO [NH3+]CCN1CCC(N(C(=O)OCc2ccccc2)C2CC2)CC1 ZINC000079391022 185168174 /nfs/dbraw/zinc/16/81/74/185168174.db2.gz CVRHMSWNVOTJCP-UHFFFAOYSA-N 1 0 317.433 2.211 40 0 DEABRO Cc1cccc(C)c1C[N@@H+]1CCC2(CC(NS(C)(=O)=O)C2)C1 ZINC000108532785 185520239 /nfs/dbraw/zinc/52/02/39/185520239.db2.gz IPVNBLLOFVMVGT-UHFFFAOYSA-N 1 0 322.474 2.207 40 0 DEABRO COc1ccc(CCCNC(=O)[C@@H]2CCC[N@H+](C)C2)cc1OC ZINC000073082069 191276921 /nfs/dbraw/zinc/27/69/21/191276921.db2.gz SRVDIOWUVPLEGF-OAHLLOKOSA-N 1 0 320.433 2.094 40 0 DEABRO Fc1cnc(N2CCC[C@]3(CC[N@@H+](C4CCOCC4)C3)C2)nc1 ZINC000096158347 283034049 /nfs/dbraw/zinc/03/40/49/283034049.db2.gz VRRDSLZSFGFBOL-QGZVFWFLSA-N 1 0 320.412 2.087 40 0 DEABRO Cc1ccccc1C[N@H+]1CCOC[C@@]2(CC(=O)N(C(C)C)C2)C1 ZINC000585104378 357334235 /nfs/dbraw/zinc/33/42/35/357334235.db2.gz LGRRWOHKCLITCG-IBGZPJMESA-N 1 0 316.445 2.454 40 0 DEABRO O=C(C1CC(F)C1)N1CC[C@H]2[C@H]1CC[N@@H+]2Cc1cccnc1 ZINC000585108129 357335044 /nfs/dbraw/zinc/33/50/44/357335044.db2.gz UGZOHRGQQLLTRT-SSHXOBKSSA-N 1 0 303.381 2.005 40 0 DEABRO Cc1c(C[N@@H+]2CCC[C@H](O)[C@@H]2Cc2ccccc2F)cnn1C ZINC000585275474 357342723 /nfs/dbraw/zinc/34/27/23/357342723.db2.gz CMKOVENDKCVQHK-ROUUACIJSA-N 1 0 317.408 2.436 40 0 DEABRO CCn1cc(C[N@@H+]2CC[C@@](O)(COc3ccccc3C)C2)cn1 ZINC000585278592 357343677 /nfs/dbraw/zinc/34/36/77/357343677.db2.gz UJFATRCRWXIXSI-SFHVURJKSA-N 1 0 315.417 2.227 40 0 DEABRO O[C@H]1[C@H](Oc2ccccc2)CCC[C@@H]1[NH2+]CCCn1cccn1 ZINC000585288615 357345217 /nfs/dbraw/zinc/34/52/17/357345217.db2.gz FQSMMGKLSSZQMX-RCCFBDPRSA-N 1 0 315.417 2.224 40 0 DEABRO CC[NH+]1CCC(N2CCN(C)[C@H](c3ccccc3OC)C2)CC1 ZINC000257328582 203051305 /nfs/dbraw/zinc/05/13/05/203051305.db2.gz XGHQRDUANOXINC-SFHVURJKSA-N 1 0 317.477 2.468 40 0 DEABRO Cn1cncc1C[N@@H+]1CCOC[C@@H](Cc2ccc(F)cc2)C1 ZINC000257320953 203045813 /nfs/dbraw/zinc/04/58/13/203045813.db2.gz VZLWRSMDMNRSSR-HNNXBMFYSA-N 1 0 303.381 2.250 40 0 DEABRO Cc1cccnc1C[N@@H+]1C[C@@H](O)[C@H](Oc2cccc(F)c2)C1 ZINC000257323049 203046867 /nfs/dbraw/zinc/04/68/67/203046867.db2.gz WIOFWYOEJPDMNF-IAGOWNOFSA-N 1 0 302.349 2.153 40 0 DEABRO Cc1cc(CNc2cc(CC[C@@H]3CCCC[NH2+]3)ncn2)on1 ZINC000257324321 203049316 /nfs/dbraw/zinc/04/93/16/203049316.db2.gz WODCSBZEPDKTDF-ZDUSSCGKSA-N 1 0 301.394 2.460 40 0 DEABRO CCn1nc(C)c(C[N@@H+]2CC[C@H](OC)[C@]3(CCCO3)C2)c1C ZINC000257341630 203064054 /nfs/dbraw/zinc/06/40/54/203064054.db2.gz ZLFNYDUNMAACDA-IRXDYDNUSA-N 1 0 307.438 2.290 40 0 DEABRO COc1ccc(C[N@@H+]2CC[C@H](c3cc(=O)[nH]c(C)n3)C2)c(F)c1 ZINC000019285249 182111536 /nfs/dbraw/zinc/11/15/36/182111536.db2.gz CWLBPYLNCWAVAS-ZDUSSCGKSA-N 1 0 317.364 2.216 40 0 DEABRO COc1ccc([C@H](Cc2ccccc2)NCC[NH2+]CCO)cc1 ZINC000019365955 182119177 /nfs/dbraw/zinc/11/91/77/182119177.db2.gz FNQYSEMHLJQCMG-IBGZPJMESA-N 1 0 314.429 2.151 40 0 DEABRO CC[C@H](c1nnnn1C1CCCCC1)N1CC[NH+](CC)CC1 ZINC000019500615 182125562 /nfs/dbraw/zinc/12/55/62/182125562.db2.gz WOEXGRXAMDBOSN-OAHLLOKOSA-N 1 0 306.458 2.267 40 0 DEABRO COc1ccc(C[N@@H+](Cc2ccccn2)C[C@@H](C)O)cc1OC ZINC000019456009 182123431 /nfs/dbraw/zinc/12/34/31/182123431.db2.gz KTZWJKYYBREFIE-CQSZACIVSA-N 1 0 316.401 2.482 40 0 DEABRO COc1cccc(O[C@@H](C)C(=O)NCCC[NH+]2CCCC2)c1 ZINC000020483161 182223099 /nfs/dbraw/zinc/22/30/99/182223099.db2.gz ISDNVSHECBOUDK-AWEZNQCLSA-N 1 0 306.406 2.065 40 0 DEABRO COc1ncc(CN(CCC[NH+](C)C)Cc2ccco2)cn1 ZINC000057810900 184055556 /nfs/dbraw/zinc/05/55/56/184055556.db2.gz ZYUCSBSYXZIWEY-UHFFFAOYSA-N 1 0 304.394 2.032 40 0 DEABRO O=C(C[C@H](c1ccccc1)[C@@H]1CCC[NH2+]C1)N1CCOCC1 ZINC000072208351 257128067 /nfs/dbraw/zinc/12/80/67/257128067.db2.gz AJUDMAFXEWVXJJ-IAGOWNOFSA-N 1 0 302.418 2.019 40 0 DEABRO COc1ccc(-c2ccc3nnc([C@@H]4CCC[NH2+]C4)n3n2)cc1 ZINC000217561531 257131701 /nfs/dbraw/zinc/13/17/01/257131701.db2.gz KKBWMFUJLPHHIA-CYBMUJFWSA-N 1 0 309.373 2.267 40 0 DEABRO COC(=O)c1ccc[n+](CCc2ccc(OC)c(OC)c2)c1 ZINC000001719780 401710306 /nfs/dbraw/zinc/71/03/06/401710306.db2.gz KJKPAJFWCQBWJA-UHFFFAOYSA-N 1 0 302.350 2.021 40 0 DEABRO Cc1ccc(C[N@H+](CCCN2CCOCC2)C[C@@H]2CCOC2)o1 ZINC000013992792 401805889 /nfs/dbraw/zinc/80/58/89/401805889.db2.gz YCFSOTOOUZQDQL-KRWDZBQOSA-N 1 0 322.449 2.149 40 0 DEABRO CC[C@@H](Oc1cccc(OC)c1)C(=O)NC1CC[NH+](C)CC1 ZINC000113951433 401788736 /nfs/dbraw/zinc/78/87/36/401788736.db2.gz JKRYROOSRWQEIH-MRXNPFEDSA-N 1 0 306.406 2.063 40 0 DEABRO CC(C)[C@H]([NH3+])C(=O)N1CCC([N@H+](C)Cc2ccccc2)CC1 ZINC000079415743 401873273 /nfs/dbraw/zinc/87/32/73/401873273.db2.gz RFQOZXDMQKMCHI-KRWDZBQOSA-N 1 0 303.450 2.093 40 0 DEABRO CC1(C)C[N@H+](Cc2ccccc2)CCO[C@@H]1N1CCOCC1 ZINC000031960304 401875035 /nfs/dbraw/zinc/87/50/35/401875035.db2.gz ITRDUFRBZQOUCA-KRWDZBQOSA-N 1 0 304.434 2.203 40 0 DEABRO O=C(C[NH2+]C[C@@H]1CCCO1)Nc1ccccc1N1CCCCC1 ZINC000035311438 401898582 /nfs/dbraw/zinc/89/85/82/401898582.db2.gz DJYHZDSEYWLZCS-HNNXBMFYSA-N 1 0 317.433 2.384 40 0 DEABRO Cc1onc(C(=O)NCC(C)(C)[NH+]2CCCCC2)c1CN(C)C ZINC000036748788 401907674 /nfs/dbraw/zinc/90/76/74/401907674.db2.gz CWUVVAUPVBEEFK-UHFFFAOYSA-N 1 0 322.453 2.039 40 0 DEABRO CCOC[C@@H]1COCCC12CC[NH+](Cc1cnn(C)c1)CC2 ZINC000096106388 402059041 /nfs/dbraw/zinc/05/90/41/402059041.db2.gz CSMLVCZSVKPHSE-MRXNPFEDSA-N 1 0 307.438 2.075 40 0 DEABRO CC(C)[C@H]([NH3+])C(=O)N1CCc2sc(Br)cc2C1 ZINC000095097551 402026052 /nfs/dbraw/zinc/02/60/52/402026052.db2.gz YCSHTMQPLMHXDA-NSHDSACASA-N 1 0 317.252 2.379 40 0 DEABRO C[NH+]1CCC2(CC[C@@H](C(=O)NCCc3cccs3)O2)CC1 ZINC000096110007 402059631 /nfs/dbraw/zinc/05/96/31/402059631.db2.gz IVRAXVZMEDZUMM-AWEZNQCLSA-N 1 0 308.447 2.050 40 0 DEABRO c1cc(CN2CCO[C@H]3[C@H](Oc4ccccn4)CC[C@@H]32)co1 ZINC000096041859 402049041 /nfs/dbraw/zinc/04/90/41/402049041.db2.gz UDPFYLKDEPEQBY-ZMSDIMECSA-N 1 0 300.358 2.485 40 0 DEABRO O=C(NCc1ccco1)[C@@H]1CCO[C@@H]2CC[N@H+](CC3CC3)C[C@H]21 ZINC000096043352 402049616 /nfs/dbraw/zinc/04/96/16/402049616.db2.gz ILVDYYRYHUALGY-IXDOHACOSA-N 1 0 318.417 2.033 40 0 DEABRO c1ccc(C[N@@H+]2C[C@@H](Oc3ccccn3)[C@H]3OCCC[C@H]32)nc1 ZINC000096042584 402049932 /nfs/dbraw/zinc/04/99/32/402049932.db2.gz JFXFJJPXTPSPLY-NUJGCVRESA-N 1 0 311.385 2.287 40 0 DEABRO c1csc(CN2C[C@@H]3C[N@@H+](Cc4ccccn4)C[C@@H]3C2)n1 ZINC000096053788 402051654 /nfs/dbraw/zinc/05/16/54/402051654.db2.gz VLDMOJGVVURWNQ-OKILXGFUSA-N 1 0 300.431 2.102 40 0 DEABRO Cc1nc(CN2C[C@H]3C[NH+](Cc4ccccn4)C[C@@H]3C2)cs1 ZINC000096053798 402052123 /nfs/dbraw/zinc/05/21/23/402052123.db2.gz LAABDHUCMMQKMQ-HUUCEWRRSA-N 1 0 314.458 2.410 40 0 DEABRO c1cc(CN2CC[N@@H+]3C[C@@H](OCc4cccnc4)C[C@@H]3C2)co1 ZINC000096055028 402052463 /nfs/dbraw/zinc/05/24/63/402052463.db2.gz NJHFQNBCGMPLHH-MSOLQXFVSA-N 1 0 313.401 2.150 40 0 DEABRO O=C(c1cccs1)N1CC[N@@H+]2C[C@H](OCC3CC3)C[C@@H]2C1 ZINC000096055000 402052746 /nfs/dbraw/zinc/05/27/46/402052746.db2.gz XSFOGXJYXCNAIR-ZIAGYGMSSA-N 1 0 306.431 2.073 40 0 DEABRO Cc1ccc(C[NH+]2C[C@@H]3CN(c4ncccn4)C[C@H]3C2)s1 ZINC000096053993 402053015 /nfs/dbraw/zinc/05/30/15/402053015.db2.gz MVHKNHOVDSLGRA-ZIAGYGMSSA-N 1 0 300.431 2.415 40 0 DEABRO c1cncc(O[C@H]2C[N@@H+](CC3CCOCC3)[C@H]3CCCO[C@H]23)c1 ZINC000096058089 402053138 /nfs/dbraw/zinc/05/31/38/402053138.db2.gz YYNYXRCJEMAFBW-BZSNNMDCSA-N 1 0 318.417 2.119 40 0 DEABRO Cc1ccc(C[N@@H+]2CC[C@H]3O[C@@H](C(=O)NCC4CC4)CC[C@H]32)o1 ZINC000096057461 402053456 /nfs/dbraw/zinc/05/34/56/402053456.db2.gz ATFMYCGPMHJCLY-BRWVUGGUSA-N 1 0 318.417 2.236 40 0 DEABRO c1ccc(-c2nnn3c2CO[C@H](C[NH2+]Cc2ccncc2)C3)cc1 ZINC000096061093 402054990 /nfs/dbraw/zinc/05/49/90/402054990.db2.gz LWZCQNLGTLNRSW-MRXNPFEDSA-N 1 0 321.384 2.029 40 0 DEABRO Cc1ccc(C(=O)N2CCn3c(C[N@@H+](C)C(C)C)cnc3C2)o1 ZINC000096061788 402055647 /nfs/dbraw/zinc/05/56/47/402055647.db2.gz MZQKXRBCTXBEJH-UHFFFAOYSA-N 1 0 316.405 2.281 40 0 DEABRO Cn1ccnc1CN1CC2(C1)CC[N@H+](Cc1ccsc1)C2 ZINC000096070936 402056525 /nfs/dbraw/zinc/05/65/25/402056525.db2.gz XFDVZPSDVFJGCC-UHFFFAOYSA-N 1 0 302.447 2.190 40 0 DEABRO c1cnc(NC[C@H]2CO[C@@]3(C2)CCC[N@H+](CC2CC2)C3)nc1 ZINC000096075795 402056771 /nfs/dbraw/zinc/05/67/71/402056771.db2.gz SESLLRUXPFAIIQ-DOTOQJQBSA-N 1 0 302.422 2.170 40 0 DEABRO CC[N@@H+]1C[C@@H](COC)[C@]2(CCN(C(=O)c3ccccc3C)C2)C1 ZINC000096220448 402072086 /nfs/dbraw/zinc/07/20/86/402072086.db2.gz BDFOOCUHDOTYFD-QFBILLFUSA-N 1 0 316.445 2.425 40 0 DEABRO C[NH+](C)[C@@H]1COC2(C1)CCN(C(=O)c1ccc(F)cc1)CC2 ZINC000096158628 402063333 /nfs/dbraw/zinc/06/33/33/402063333.db2.gz SUUHEBCYMKSFJN-HNNXBMFYSA-N 1 0 306.381 2.151 40 0 DEABRO Cc1ccc(C[N@@H+]2CC[C@H]3[C@H]2CCN3S(=O)(=O)C2CC2)cc1 ZINC000096184519 402065094 /nfs/dbraw/zinc/06/50/94/402065094.db2.gz XOFVQIAHDCBSQP-SJORKVTESA-N 1 0 320.458 2.136 40 0 DEABRO COCCN1CC2(CC[NH+](Cc3ccc(C)c(C)c3)CC2)C1=O ZINC000096202849 402068758 /nfs/dbraw/zinc/06/87/58/402068758.db2.gz PDDBAVCBFQCOAT-UHFFFAOYSA-N 1 0 316.445 2.374 40 0 DEABRO c1cnc(N[C@H]2CCO[C@]3(CC[N@@H+](C4CCCC4)C3)C2)nc1 ZINC000096205968 402068826 /nfs/dbraw/zinc/06/88/26/402068826.db2.gz HWDKEZNQGTZIQO-WMLDXEAASA-N 1 0 302.422 2.455 40 0 DEABRO C[C@H]1N(C)C(=O)COC12CC[NH+](Cc1cccc(F)c1)CC2 ZINC000096201524 402068935 /nfs/dbraw/zinc/06/89/35/402068935.db2.gz VNGCJWYNZNFQFC-CYBMUJFWSA-N 1 0 306.381 2.037 40 0 DEABRO COC(=O)C(=O)[C@@]1(c2ccccc2)CCCC(C[NH+](C)C)C1=O ZINC000104072522 402196841 /nfs/dbraw/zinc/19/68/41/402196841.db2.gz DIETVJGVIAPOKO-GOSISDBHSA-N 1 0 317.385 2.224 40 0 DEABRO C[C@H](Oc1cccc2c1CCCC2)C(=O)NCCC[NH+](C)C ZINC000224473097 402313931 /nfs/dbraw/zinc/31/39/31/402313931.db2.gz BQBPITTUIOZNDQ-AWEZNQCLSA-N 1 0 304.434 2.401 40 0 DEABRO COC(=O)c1cccc(NC(=S)NCCC[NH+]2CCCC2)c1 ZINC000225434037 402317215 /nfs/dbraw/zinc/31/72/15/402317215.db2.gz BDVQQAGYKYTFOH-UHFFFAOYSA-N 1 0 321.446 2.246 40 0 DEABRO O=C(c1cccs1)N1CC[N@@H+]2C[C@H](OCC3CC3)C[C@H]2C1 ZINC000247961147 402579210 /nfs/dbraw/zinc/57/92/10/402579210.db2.gz XSFOGXJYXCNAIR-UONOGXRCSA-N 1 0 306.431 2.073 40 0 DEABRO CC[NH+](CC)C[C@@H]1Cn2nccc2CN(CC2CCOCC2)C1 ZINC000248251720 402585959 /nfs/dbraw/zinc/58/59/59/402585959.db2.gz MJTXFCILICHOAZ-KRWDZBQOSA-N 1 0 320.481 2.083 40 0 DEABRO Cc1cc(N)cc([C@H]2CN(C(=O)Cc3ccsc3)CCO2)[nH+]1 ZINC000257209984 402703778 /nfs/dbraw/zinc/70/37/78/402703778.db2.gz BSQUSXOMNCJDKT-OAHLLOKOSA-N 1 0 317.414 2.176 40 0 DEABRO C[NH+]1CCC(Cc2ccccc2)(C(=O)NC2CCOCC2)CC1 ZINC000257227040 402705826 /nfs/dbraw/zinc/70/58/26/402705826.db2.gz FNJIDXPYTBKQNZ-UHFFFAOYSA-N 1 0 316.445 2.236 40 0 DEABRO CN(C)C(=O)C[N@@H+]1CCOC[C@H](Cc2cccc3occc32)C1 ZINC000257229069 402706212 /nfs/dbraw/zinc/70/62/12/402706212.db2.gz FWOYQZSWLPYLMP-CQSZACIVSA-N 1 0 316.401 2.012 40 0 DEABRO CC(C)(C)c1cc(C(=O)N2CC[C@H]3[NH2+]CCCC[C@H]3C2)[nH]n1 ZINC000257243687 402707477 /nfs/dbraw/zinc/70/74/77/402707477.db2.gz IICZBFWIGVRPOQ-QWHCGFSZSA-N 1 0 304.438 2.311 40 0 DEABRO O=C(Cn1cccn1)N1CCCC[C@@H]2[NH2+]C[C@@H](c3ccccc3)[C@@H]21 ZINC000257266728 402710821 /nfs/dbraw/zinc/71/08/21/402710821.db2.gz MEFGPAXUYVIEAY-LNLFQRSKSA-N 1 0 324.428 2.020 40 0 DEABRO CO[C@H]1CC[N@H+](CCOc2ccc(F)cc2)C[C@@]12CCCO2 ZINC000257267441 402710924 /nfs/dbraw/zinc/71/09/24/402710924.db2.gz MHIOKJJYVYBPKR-IRXDYDNUSA-N 1 0 309.381 2.474 40 0 DEABRO O=c1cc(C[C@H]2COCC[N@@H+](Cc3cccc(F)c3)C2)nc[nH]1 ZINC000257272158 402711404 /nfs/dbraw/zinc/71/14/04/402711404.db2.gz NBHBHYMJQMOTPG-CQSZACIVSA-N 1 0 317.364 2.012 40 0 DEABRO CC(C)n1ccnc1C[N@@H+]1CCCC[C@]2(C)NC(=O)CC[C@H]12 ZINC000257310212 402712070 /nfs/dbraw/zinc/71/20/70/402712070.db2.gz UEEAVNJXKHEJNA-YOEHRIQHSA-N 1 0 304.438 2.487 40 0 DEABRO Cc1c[nH]nc1[C@@H]1CCC[N@H+](Cc2cccc(OCCO)c2)C1 ZINC000257325374 402712148 /nfs/dbraw/zinc/71/21/48/402712148.db2.gz WSSCRZMDPZWPQH-MRXNPFEDSA-N 1 0 315.417 2.469 40 0 DEABRO C[C@@H]1CCCN([C@H]2CC(=O)N(c3ccc(F)c(F)c3)C2=O)C1 ZINC000253575452 402669007 /nfs/dbraw/zinc/66/90/07/402669007.db2.gz UPPUPRYAOMKZAB-YGRLFVJLSA-N 1 0 308.328 2.329 40 0 DEABRO COc1cc(C[NH2+]Cc2cc(C(F)(F)F)nn2C)ccc1O ZINC000256050260 402700318 /nfs/dbraw/zinc/70/03/18/402700318.db2.gz DIRAKQKNBMSCKB-UHFFFAOYSA-N 1 0 315.295 2.443 40 0 DEABRO O=C(Cc1c[nH]c2ncccc12)N1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000333783192 403859596 /nfs/dbraw/zinc/85/95/96/403859596.db2.gz DYUPTYPURDGNIQ-CZUORRHYSA-N 1 0 312.417 2.096 40 0 DEABRO c1c(NC[C@H]2CCCO2)nc(NC2CCCC2)[nH+]c1C1CC1 ZINC000329020361 404202706 /nfs/dbraw/zinc/20/27/06/404202706.db2.gz OBSDBNJVEJLARK-CQSZACIVSA-N 1 0 302.422 2.143 40 0 DEABRO CNc1nc(N2CCc3cc(C(C)(C)O)ccc3C2)cc(C)[nH+]1 ZINC000328980766 424903109 /nfs/dbraw/zinc/90/31/09/424903109.db2.gz GOPREOZVLFAGJQ-UHFFFAOYSA-N 1 0 312.417 2.617 40 0 DEABRO COc1ccc2nc3n(c2c1)[C@@H](C[NH2+]Cc1ccccn1)COC3 ZINC000096112630 274143958 /nfs/dbraw/zinc/14/39/58/274143958.db2.gz JWYAYTXUDKNKFP-AWEZNQCLSA-N 1 0 324.384 2.301 40 0 biogenic,in-vitro DEABRO CC[n+]1ccc(-c2nn3c(nnc3C(F)(F)F)s2)cc1 ZINC000226773740 276656270 /nfs/dbraw/zinc/65/62/70/276656270.db2.gz UXSNXHCELIIPBU-UHFFFAOYSA-N 1 0 300.289 2.179 40 0 DEABRO CC(C)N(C(=O)OC(C)(C)C)[C@@H]1CCCC[C@H]1NC(=O)C[NH3+] ZINC000079409329 279299527 /nfs/dbraw/zinc/29/95/27/279299527.db2.gz WLGVPGAFQHBHQX-CHWSQXEVSA-N 1 0 313.442 2.018 40 0 DEABRO C[NH+]1CCC(N2CCOC[C@H]2c2nc(C(C)(C)C)c[nH]2)CC1 ZINC000072322143 289882299 /nfs/dbraw/zinc/88/22/99/289882299.db2.gz UIAGCHPBLAHSKS-AWEZNQCLSA-N 1 0 306.454 2.175 40 0 biogenic,in-vitro DEABRO Cn1nc(-c2ccc(F)cc2)cc1[C@H]1C[N@@H+]2CC[C@H]1C[C@@H]2CO ZINC000008635311 563949579 /nfs/dbraw/zinc/94/95/79/563949579.db2.gz HVLSTKBVGAHKTI-IMJJTQAJSA-N 1 0 315.392 2.396 40 0 biogenic,in-vitro DEABRO CNc1ncc(C[N@@H+]2CC[C@@]3(C)OC(C)(C)CC[C@H]3C2)cn1 ZINC000585286818 563959941 /nfs/dbraw/zinc/95/99/41/563959941.db2.gz VNSCGXMDOYCEDV-WMLDXEAASA-N 1 0 304.438 2.688 40 0 DEABRO CCN(C(=O)OCc1ccccc1)C1CCN(CC[NH3+])CC1 ZINC000079411586 185170162 /nfs/dbraw/zinc/17/01/62/185170162.db2.gz LLLLBJZPJLQWRZ-UHFFFAOYSA-N 1 0 305.422 2.068 40 0 DEABRO O=C([O-])C[N@@H+]1CCC[C@@H](C[NH+](Cc2ccccc2)C2CC2)C1 ZINC000079416260 185170751 /nfs/dbraw/zinc/17/07/51/185170751.db2.gz JIOQAJQKQSCWIE-MRXNPFEDSA-N 1 0 302.418 2.448 40 0 DEABRO Cc1nc(Nc2nccs2)cc([C@@H]2CCC[N@@H+]2CCO)n1 ZINC000072360135 191129959 /nfs/dbraw/zinc/12/99/59/191129959.db2.gz CCBYGWUZQSABIZ-LBPRGKRZSA-N 1 0 305.407 2.114 40 0 DEABRO CC(C)[NH+]1CCC(c2nccnc2N2CCC[C@@H]2CO)CC1 ZINC000072365232 191133731 /nfs/dbraw/zinc/13/37/31/191133731.db2.gz YGQKPQGOLGDURX-OAHLLOKOSA-N 1 0 304.438 2.026 40 0 DEABRO O=C(Nc1cccc(F)c1)c1ccc([C@H]2C[NH2+]CCO2)nc1 ZINC000072365597 191134441 /nfs/dbraw/zinc/13/44/41/191134441.db2.gz ICSQHIKJIOIGCG-OAHLLOKOSA-N 1 0 301.321 2.134 40 0 DEABRO CC[C@H](C)NC(=O)c1ccccc1NC(=O)C1CC[NH+](C)CC1 ZINC000072849917 191237685 /nfs/dbraw/zinc/23/76/85/191237685.db2.gz KJSAIAVIDVDHPZ-ZDUSSCGKSA-N 1 0 317.433 2.495 40 0 DEABRO COc1ccc(OCC(=O)NCCC[NH+]2CCCCCC2)cc1 ZINC000010111076 354015209 /nfs/dbraw/zinc/01/52/09/354015209.db2.gz DMFGYVYZWBUYEW-UHFFFAOYSA-N 1 0 320.433 2.456 40 0 DEABRO C[C@H]1CCc2c(nc3ncnn3c2NCC[C@H]2CCC[N@@H+]2C)C1 ZINC000004516988 181119077 /nfs/dbraw/zinc/11/90/77/181119077.db2.gz GQPWCKVLROAUMJ-QWHCGFSZSA-N 1 0 314.437 2.145 40 0 DEABRO CC[NH+](CC)CCNC(=O)Nc1c[nH]c2ccc(C)cc2c1=O ZINC000004907823 181171273 /nfs/dbraw/zinc/17/12/73/181171273.db2.gz KHSUHQWCTAMWHY-UHFFFAOYSA-N 1 0 316.405 2.300 40 0 DEABRO O=C(C1CCC1)N1CC2(C1)CC[C@@H](C[NH+]1CCCCC1)CO2 ZINC000575406364 356751426 /nfs/dbraw/zinc/75/14/26/356751426.db2.gz NQDFIEKGZRDVKC-HNNXBMFYSA-N 1 0 306.450 2.280 40 0 DEABRO CC(C)N1CC[NH+]([C@H]2CCC[C@@H](Oc3ccccc3)[C@@H]2O)CC1 ZINC000585288474 357344857 /nfs/dbraw/zinc/34/48/57/357344857.db2.gz BGTZPMMVKRHHFF-IPMKNSEASA-N 1 0 318.461 2.373 40 0 DEABRO Cc1cccc(C[N@@H+]2C[C@H](c3ccccc3C)[C@@H](O)[C@H]2CO)n1 ZINC000585295136 357345805 /nfs/dbraw/zinc/34/58/05/357345805.db2.gz MUVKNGHOYOOHCK-GUDVDZBRSA-N 1 0 312.413 2.020 40 0 DEABRO Cn1cnc2c1[C@H](C(=O)NC1CCC1)C[N@H+](CC1CCCC1)C2 ZINC000248028104 202713076 /nfs/dbraw/zinc/71/30/76/202713076.db2.gz KLDSJHLJARWSQO-OAHLLOKOSA-N 1 0 316.449 2.178 40 0 DEABRO OCCOc1cccc(C[NH+]2CCC(c3cnccn3)CC2)c1 ZINC000257301339 203026496 /nfs/dbraw/zinc/02/64/96/203026496.db2.gz RYAQXQSMXLLFFH-UHFFFAOYSA-N 1 0 313.401 2.227 40 0 DEABRO O=C(Nc1ccc(F)cc1)c1cncnc1CC1CC[NH2+]CC1 ZINC000257304660 203030570 /nfs/dbraw/zinc/03/05/70/203030570.db2.gz SMOQMDOEXJXOFL-UHFFFAOYSA-N 1 0 314.364 2.410 40 0 DEABRO Clc1ccc(OCCc2cc([C@H]3C[NH2+]CCO3)[nH]n2)cc1 ZINC000257306344 203031607 /nfs/dbraw/zinc/03/16/07/203031607.db2.gz STXBUBRRGVGLDH-OAHLLOKOSA-N 1 0 307.781 2.346 40 0 DEABRO Cc1n[nH]cc1C[N@@H+]1CCC[C@@H](c2cncc(-n3ccnc3)n2)C1 ZINC000257317566 203040281 /nfs/dbraw/zinc/04/02/81/203040281.db2.gz VKHMLLMNVGOIKO-CQSZACIVSA-N 1 0 323.404 2.073 40 0 DEABRO CC(C)[NH+]1CCC(c2ccnc3c(C(=O)N(C)C)cnn32)CC1 ZINC000257335184 203057783 /nfs/dbraw/zinc/05/77/83/203057783.db2.gz YIZCMEDBIGYDNA-UHFFFAOYSA-N 1 0 315.421 2.019 40 0 DEABRO COc1ccccc1NC(=O)c1cnc([C@H]2CC[NH2+]C2)nc1C ZINC000257339550 203061616 /nfs/dbraw/zinc/06/16/16/203061616.db2.gz 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182112351 /nfs/dbraw/zinc/11/23/51/182112351.db2.gz WRTOLYREEMTYNQ-LSDHHAIUSA-N 1 0 313.376 2.349 40 0 DEABRO COc1ccccc1C[N@@H+]1CCC[C@@H](c2nc(C)cc(=O)[nH]2)C1 ZINC000019117995 182105046 /nfs/dbraw/zinc/10/50/46/182105046.db2.gz SFROGTTVLGVCBQ-OAHLLOKOSA-N 1 0 313.401 2.467 40 0 DEABRO O=C(C1CCCCC1)N1CCc2nc([C@H]3CC[NH2+]C3)ncc2C1 ZINC000019292417 182113925 /nfs/dbraw/zinc/11/39/25/182113925.db2.gz RQFBFYUJUZMRBF-AWEZNQCLSA-N 1 0 314.433 2.019 40 0 DEABRO CC[N@@H+]1CCC[C@@H]1CN(Cc1cnn(C)c1)Cc1ccco1 ZINC000022916092 182341516 /nfs/dbraw/zinc/34/15/16/182341516.db2.gz ULMXWFLFXJPBEK-MRXNPFEDSA-N 1 0 302.422 2.500 40 0 DEABRO CC(=O)N1CCN(c2cc(C)c([C@H]([NH3+])c3ccccc3)cn2)CC1 ZINC000072223741 257123469 /nfs/dbraw/zinc/12/34/69/257123469.db2.gz RKLFEANSMRVKEK-LJQANCHMSA-N 1 0 324.428 2.107 40 0 DEABRO O=c1oc(-c2cc3c(s2)CCC3)nn1CC[NH+]1CCCC1 ZINC000005002397 401728169 /nfs/dbraw/zinc/72/81/69/401728169.db2.gz CDXXZDYBFDKDLH-UHFFFAOYSA-N 1 0 305.403 2.149 40 0 DEABRO CCN(CC)CC(C[NH+](CC)CC)OC(=O)c1ccc(N)cc1 ZINC000001667344 401709916 /nfs/dbraw/zinc/70/99/16/401709916.db2.gz QFPTUFVRFWKVMP-UHFFFAOYSA-N 1 0 321.465 2.478 40 0 DEABRO CCOc1cc(C[NH2+]CCO)cc(Br)c1OCC ZINC000008253829 401750426 /nfs/dbraw/zinc/75/04/26/401750426.db2.gz NLWLNERGMKCTJI-UHFFFAOYSA-N 1 0 318.211 2.328 40 0 DEABRO Cc1oc2c(c1CC(=O)N(C)CC[NH+](C)C)C(=O)CC(C)(C)C2 ZINC000012360908 401783775 /nfs/dbraw/zinc/78/37/75/401783775.db2.gz UIHLPUXWPXOVPS-UHFFFAOYSA-N 1 0 320.433 2.306 40 0 DEABRO O=C1N[C@@]2(CC[N@H+](Cc3cccnc3)C2)CCc2ccccc21 ZINC000019375263 401822095 /nfs/dbraw/zinc/82/20/95/401822095.db2.gz KGEWKUKUOBNFPO-LJQANCHMSA-N 1 0 307.397 2.402 40 0 DEABRO CCOc1c(Cl)cc(Cl)cc1CNCC[NH2+]C[C@@H](C)O ZINC000022074849 401826546 /nfs/dbraw/zinc/82/65/46/401826546.db2.gz BMDYVQUOFPIFOP-SNVBAGLBSA-N 1 0 321.248 2.452 40 0 DEABRO CCC[NH+]1CCN(C(=O)[C@@H](C)n2ccc(C(F)(F)F)n2)CC1 ZINC000027973961 401848604 /nfs/dbraw/zinc/84/86/04/401848604.db2.gz AROVHQABBNPQTM-LLVKDONJSA-N 1 0 318.343 2.017 40 0 DEABRO C[C@H]([NH3+])C(=O)N[C@@H]1CCCC[C@@H]1[N@H+](Cc1ccccc1)C1CC1 ZINC000079415687 401873309 /nfs/dbraw/zinc/87/33/09/401873309.db2.gz UMGDQPUHAYHDGC-QGTPRVQTSA-N 1 0 315.461 2.426 40 0 DEABRO O=C(C[NH2+]C[C@H]1CCCO1)Nc1ccccc1N1CCCCC1 ZINC000035311439 401897936 /nfs/dbraw/zinc/89/79/36/401897936.db2.gz DJYHZDSEYWLZCS-OAHLLOKOSA-N 1 0 317.433 2.384 40 0 DEABRO COc1ccc2[nH]c([C@H]3CC[N@@H+](C4CCN(C)CC4)C3)nc2c1 ZINC000035446774 401899540 /nfs/dbraw/zinc/89/95/40/401899540.db2.gz MBPVZIOORSFWIN-ZDUSSCGKSA-N 1 0 314.433 2.455 40 0 biogenic,in-vitro DEABRO c1cncc(C[N@@H+]2CC[C@]3(C[C@@H](Oc4cccnc4)CO3)C2)c1 ZINC000096107754 402059221 /nfs/dbraw/zinc/05/92/21/402059221.db2.gz CVZPLXVIPUTXIQ-MSOLQXFVSA-N 1 0 311.385 2.289 40 0 DEABRO O=C(N1CCCC1)[C@@]12CCO[C@@H]1CC[N@H+](Cc1ccsc1)C2 ZINC000096038706 402047965 /nfs/dbraw/zinc/04/79/65/402047965.db2.gz JWUZKWCDSDMYDE-NVXWUHKLSA-N 1 0 320.458 2.352 40 0 DEABRO c1cncc(CN2CCO[C@H]3[C@H](Oc4cccnc4)CC[C@@H]32)c1 ZINC000096041685 402048870 /nfs/dbraw/zinc/04/88/70/402048870.db2.gz BGPXYNIWNDVRSK-RCCFBDPRSA-N 1 0 311.385 2.287 40 0 DEABRO O=C(c1ccccn1)N1CC2(C1)CC[N@H+](Cc1ccsc1)C2 ZINC000096046496 402050321 /nfs/dbraw/zinc/05/03/21/402050321.db2.gz WBHKJZDOFTZXEW-UHFFFAOYSA-N 1 0 313.426 2.491 40 0 DEABRO CN(C)C(=O)[C@H]1C[C@@]2(CO1)CCC[N@H+](Cc1cccs1)C2 ZINC000096048883 402050598 /nfs/dbraw/zinc/05/05/98/402050598.db2.gz OZCJGGOLIJLVBT-ZBFHGGJFSA-N 1 0 308.447 2.207 40 0 DEABRO Cc1cccc(CO[C@@H]2C[C@H]3C[N@H+](CC4CC4)CCN3C2)n1 ZINC000096055108 402052863 /nfs/dbraw/zinc/05/28/63/402052863.db2.gz PLAAWENGSOKAHA-ZWKOTPCHSA-N 1 0 301.434 2.075 40 0 DEABRO O=C1C[C@@H](c2ccncc2)C2(CC[NH+](Cc3ccoc3)CC2)N1 ZINC000096061544 402054626 /nfs/dbraw/zinc/05/46/26/402054626.db2.gz BVESIXZNAZNAGW-INIZCTEOSA-N 1 0 311.385 2.313 40 0 DEABRO Cc1noc(C[C@]23COC[C@H]2C[N@H+](Cc2ccsc2)C3)n1 ZINC000096207835 402069472 /nfs/dbraw/zinc/06/94/72/402069472.db2.gz STWDBRFILGKICT-HIFRSBDPSA-N 1 0 305.403 2.131 40 0 DEABRO CS(=O)(=O)N1CCC[C@]12CCC[N@H+](Cc1cccs1)C2 ZINC000096215038 402070655 /nfs/dbraw/zinc/07/06/55/402070655.db2.gz HCLINGHQBJWCSW-AWEZNQCLSA-N 1 0 314.476 2.138 40 0 DEABRO CC[N@@H+]1C[C@H](COC)[C@]2(CCN(Cc3cccc(C)n3)C2)C1 ZINC000096219362 402071555 /nfs/dbraw/zinc/07/15/55/402071555.db2.gz VDFBRPWJUZCKEE-SJLPKXTDSA-N 1 0 303.450 2.180 40 0 DEABRO O=C1N(c2cccnc2)CC[C@@]12CCC[N@H+](Cc1cccnc1)C2 ZINC000096224521 402071908 /nfs/dbraw/zinc/07/19/08/402071908.db2.gz YMVLHLQTSXVPGO-LJQANCHMSA-N 1 0 322.412 2.496 40 0 DEABRO O=C1N(c2cncnc2)CC[C@]12CCC[N@H+](Cc1ccoc1)C2 ZINC000096224558 402072436 /nfs/dbraw/zinc/07/24/36/402072436.db2.gz MPTWUUCPSQWPCT-KRWDZBQOSA-N 1 0 312.373 2.089 40 0 DEABRO CC[N@@H+]1CCOC[C@@]2(CCCN(C(=O)c3ccsc3)C2)C1 ZINC000096228883 402072510 /nfs/dbraw/zinc/07/25/10/402072510.db2.gz CRLAFLPBJGMZKO-INIZCTEOSA-N 1 0 308.447 2.323 40 0 DEABRO CC[N@@H+]1CCO[C@@H]2CN(C(=O)CCc3ccccc3)CC[C@@H]2C1 ZINC000096249572 402074812 /nfs/dbraw/zinc/07/48/12/402074812.db2.gz DNDRRGOEUIVJOP-QZTJIDSGSA-N 1 0 316.445 2.188 40 0 DEABRO c1ccc(CN2CCOC3(CC[NH+](CC4CC4)CC3)C2)nc1 ZINC000096158843 402063374 /nfs/dbraw/zinc/06/33/74/402063374.db2.gz WANIHMRZUAAJLR-UHFFFAOYSA-N 1 0 301.434 2.158 40 0 DEABRO O=S(=O)(c1ccc(F)cc1)N1CC[C@H]2[C@H]1CC[N@@H+]2CC1CC1 ZINC000096184409 402065338 /nfs/dbraw/zinc/06/53/38/402065338.db2.gz PCVDGQOKJGECGE-JKSUJKDBSA-N 1 0 324.421 2.073 40 0 DEABRO Cc1ccc(C)n1[C@@H]1C[N@@H+](Cc2cnn(C)c2)[C@@H]2CCCO[C@H]12 ZINC000096185832 402065961 /nfs/dbraw/zinc/06/59/61/402065961.db2.gz HUBSIWHGXXLZGO-KURKYZTESA-N 1 0 314.433 2.443 40 0 DEABRO CCc1ccc(C[NH2+]C[C@@H]2COCc3c(C)nnn3C2)cc1 ZINC000096199378 402068155 /nfs/dbraw/zinc/06/81/55/402068155.db2.gz FSQMYCWRQBLAIU-INIZCTEOSA-N 1 0 300.406 2.085 40 0 DEABRO Cn1cc(C[NH+]2CCC3(C[C@H](c4ccccc4)C(=O)N3)CC2)cn1 ZINC000096199415 402068253 /nfs/dbraw/zinc/06/82/53/402068253.db2.gz PCRUYQSZXKKUDW-QGZVFWFLSA-N 1 0 324.428 2.058 40 0 DEABRO Cn1cc(C[N@@H+]2CCC3(CN(Cc4ccc(F)cc4)C3)C2)cn1 ZINC000096202673 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ZINC000022030794 281012002 /nfs/dbraw/zinc/01/20/02/281012002.db2.gz VSEBAVWJBVADMN-ROUUACIJSA-N 1 0 306.450 2.153 40 0 DEABRO C[N@@H+]1CCN2[C@H](CN(C(=O)c3ccc(Cl)cc3)CC2(C)C)C1 ZINC000253400461 290060313 /nfs/dbraw/zinc/06/03/13/290060313.db2.gz LHBYQFGYSOPBMH-HNNXBMFYSA-N 1 0 321.852 2.190 40 0 biogenic,in-vitro DEABRO COc1ccc2c(c1O)[C@]13CC[N@H+](C)[C@H](C2)[C@@H]1CCC(=O)C3 ZINC000004777938 295277470 /nfs/dbraw/zinc/27/74/70/295277470.db2.gz CDGFTOARGCEWKI-IYOUNJFTSA-N 1 0 301.386 2.268 40 0 in-vitro DEABRO Cn1cc([C@@H]2CC(=O)NC23CC[NH+](Cc2ccccc2)CC3)cn1 ZINC000096199771 302921395 /nfs/dbraw/zinc/92/13/95/302921395.db2.gz ONZOKTAUUFLRBZ-KRWDZBQOSA-N 1 0 324.428 2.058 40 0 DEABRO c1cc2n(n1)C[C@H](CCNc1ncccn1)C[N@H+](C1CCC1)C2 ZINC000306126648 534476260 /nfs/dbraw/zinc/47/62/60/534476260.db2.gz FAWKRXWIOLTBNJ-CQSZACIVSA-N 1 0 312.421 2.160 40 0 DEABRO C[S@@](=O)CC[NH2+]Cc1ccc(-c2ccc3ncncc3c2)o1 ZINC001569989291 1065863682 /nfs/dbraw/zinc/86/36/82/1065863682.db2.gz 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CC(=O)N1C[C@@H](COCC2CC2)C2(C1)CC[NH+](C(C)C)CC2 ZINC000585102729 357334143 /nfs/dbraw/zinc/33/41/43/357334143.db2.gz CASOZRDOKOLGEO-KRWDZBQOSA-N 1 0 308.466 2.382 40 0 DEABRO CC[NH+](CC)CC[C@@H]1CN(C(=O)c2ccco2)Cc2ccnn21 ZINC000585112929 357335467 /nfs/dbraw/zinc/33/54/67/357335467.db2.gz WVYBJRCUEWXCOR-OAHLLOKOSA-N 1 0 316.405 2.405 40 0 DEABRO Cc1ccc(C[C@H]2[C@@H](O)CCCN2C(=O)/C=C/C[NH+](C)C)cc1 ZINC000585290395 357344968 /nfs/dbraw/zinc/34/49/68/357344968.db2.gz VYFBNJZLHNDPMJ-KEEVIKFDSA-N 1 0 316.445 2.007 40 0 DEABRO Cc1cccc(O[C@@H]2CCC[C@H]([NH2+]Cc3nccn3C)[C@H]2O)c1 ZINC000585289905 357344981 /nfs/dbraw/zinc/34/49/81/357344981.db2.gz XAPBJMMVZCWNTC-LZLYRXPVSA-N 1 0 315.417 2.179 40 0 DEABRO CO[C@@H]1COC[C@@H]([N@H+](C)Cc2cc3ccccc3[nH]2)[C@@H]1OC ZINC000585290265 357345145 /nfs/dbraw/zinc/34/51/45/357345145.db2.gz AUBUCWMTUMKSHO-ZACQAIPSSA-N 1 0 304.390 2.029 40 0 DEABRO O=C(C[NH+]1CCCCCC1)Nc1ccccc1N1CCOCC1 ZINC000006345961 181333357 /nfs/dbraw/zinc/33/33/57/181333357.db2.gz 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ZINC000096215265 193584604 /nfs/dbraw/zinc/58/46/04/193584604.db2.gz XEHUWPGAWHJXOZ-SCYVGKGRSA-N 1 0 320.458 2.473 40 0 DEABRO CCn1ncc(CN(CC[NH+](C)C)Cc2cccnc2)c1C ZINC000019523908 182127805 /nfs/dbraw/zinc/12/78/05/182127805.db2.gz QAVWEAHQEICRFO-UHFFFAOYSA-N 1 0 301.438 2.170 40 0 DEABRO CC(C)[NH2+]C[C@@H](O)COCCOC12CC3CC(CC(C3)C1)C2 ZINC000041689895 183217520 /nfs/dbraw/zinc/21/75/20/183217520.db2.gz HNUOUFXIWZJQHO-AWDGRILASA-N 1 0 311.466 2.347 40 0 DEABRO CC1(C)CC(NC(=O)C(=O)Nc2cccc(F)c2)CC(C)(C)[NH2+]1 ZINC000042645729 183293253 /nfs/dbraw/zinc/29/32/53/183293253.db2.gz GQCVTMVYEODMMG-UHFFFAOYSA-N 1 0 321.396 2.190 40 0 DEABRO O=C(c1sc2ccccc2c1[C@@H]1CC[NH2+]C1)N1CCOCC1 ZINC000257247245 284778341 /nfs/dbraw/zinc/77/83/41/284778341.db2.gz IYCVHLAKHCZZMT-GFCCVEGCSA-N 1 0 316.426 2.451 40 0 DEABRO O=C(c1noc2c1CCCC2)N1CC[NH2+]C[C@H]1c1ccccc1 ZINC000257301527 296308504 /nfs/dbraw/zinc/30/85/04/296308504.db2.gz RYWBXZRCQDAFGT-HNNXBMFYSA-N 1 0 311.385 2.340 40 0 DEABRO O=C(NC1CCC1)[C@@H]1CCO[C@@H]2CC[N@H+](Cc3ccoc3)C[C@H]21 ZINC000096043334 256553817 /nfs/dbraw/zinc/55/38/17/256553817.db2.gz FJVPDJBBQZEWNJ-IXDOHACOSA-N 1 0 318.417 2.175 40 0 DEABRO Cc1cc(N2CC[NH+](C)CC2)ncc1CNC(=O)OC(C)(C)C ZINC000072223598 257123833 /nfs/dbraw/zinc/12/38/33/257123833.db2.gz WDYZTAXXASXVOZ-UHFFFAOYSA-N 1 0 320.437 2.167 40 0 DEABRO c1cnc(N2CCCC3(CC[NH+](C4CCOCC4)CC3)C2)nc1 ZINC000096158548 285544333 /nfs/dbraw/zinc/54/43/33/285544333.db2.gz WOMQMZRJAWLFDF-UHFFFAOYSA-N 1 0 316.449 2.338 40 0 DEABRO COc1ccc([C@H]2[C@H]([NH3+])[C@H](c3ccccc3)Nc3ncnn32)cc1 ZINC000074941315 401745820 /nfs/dbraw/zinc/74/58/20/401745820.db2.gz QAKWCDKFQTULHZ-IKGGRYGDSA-N 1 0 321.384 2.370 40 0 DEABRO COc1cccc(-c2cc3nc(C4CC[NH2+]CC4)cc(N)n3n2)c1 ZINC000012156587 401780280 /nfs/dbraw/zinc/78/02/80/401780280.db2.gz BSXCQSOECLBWAP-UHFFFAOYSA-N 1 0 323.400 2.454 40 0 DEABRO Cc1ccsc1[C@H]1NC(=[NH2+])Nc2nc(=O)c3ccccc3n21 ZINC000039921220 401924633 /nfs/dbraw/zinc/92/46/33/401924633.db2.gz LXPXRGHYGXPYPW-LBPRGKRZSA-N 1 0 311.370 2.054 40 0 DEABRO O=C1NC(=O)C(CC[NH+]2CCCCC2)(c2ccccc2)C(=O)N1 ZINC000031938252 401875001 /nfs/dbraw/zinc/87/50/01/401875001.db2.gz IEJANWYSGVNAOH-UHFFFAOYSA-N 1 0 315.373 2.007 40 0 DEABRO COc1ccc(N2C(=O)C[C@@H]([N@@H+]3CCC[C@H](C)C3)C2=O)cc1 ZINC000033935971 401892694 /nfs/dbraw/zinc/89/26/94/401892694.db2.gz CQAJQFNBTOERDU-SWLSCSKDSA-N 1 0 302.374 2.059 40 0 DEABRO [NH3+][C@H](Cc1c[nH]cn1)c1nc2cc(Br)ccc2[nH]1 ZINC000037441195 401913765 /nfs/dbraw/zinc/91/37/65/401913765.db2.gz FFWOIROWJNNAJP-SECBINFHSA-N 1 0 306.167 2.291 40 0 DEABRO CN1CCC([N@@H+]2CC[C@H](c3nnc(-c4ccncc4)o3)C2)CC1 ZINC000049169596 402012951 /nfs/dbraw/zinc/01/29/51/402012951.db2.gz AJSPALCVXIDRIB-AWEZNQCLSA-N 1 0 313.405 2.015 40 0 biogenic,in-vitro DEABRO CC(C)[C@@H]([NH3+])C(=O)N1CCc2sc(Br)cc2C1 ZINC000095097552 402025990 /nfs/dbraw/zinc/02/59/90/402025990.db2.gz YCSHTMQPLMHXDA-LLVKDONJSA-N 1 0 317.252 2.379 40 0 DEABRO c1cc(COC[C@]23COC[C@H]2C[N@@H+](C2CCCC2)C3)ccn1 ZINC000096108975 402059565 /nfs/dbraw/zinc/05/95/65/402059565.db2.gz YSCSIIUVCCZWII-SJLPKXTDSA-N 1 0 302.418 2.489 40 0 DEABRO CC(=O)N1CCO[C@@H]2C[N@H+](Cc3ccccc3Cl)C[C@@H]2C1 ZINC000096108064 402059688 /nfs/dbraw/zinc/05/96/88/402059688.db2.gz WYVNWEVDDLDMKJ-GDBMZVCRSA-N 1 0 308.809 2.019 40 0 DEABRO Cc1ccc2c(c1)nc1n2[C@@H](C[NH2+]C2CCN(C)CC2)COC1 ZINC000096112809 402060352 /nfs/dbraw/zinc/06/03/52/402060352.db2.gz DTJWQRRELSQDPD-HNNXBMFYSA-N 1 0 314.433 2.100 40 0 biogenic,in-vitro DEABRO c1coc(CN2CCOC[C@]3(CC[C@H](C[NH+]4CCCC4)O3)C2)c1 ZINC000096052323 402051917 /nfs/dbraw/zinc/05/19/17/402051917.db2.gz FKQGPLZKGBJISZ-MSOLQXFVSA-N 1 0 320.433 2.125 40 0 DEABRO C(OC[C@H]1CC[C@@H]2[C@@H](CC[N@@H+]2CC2CCOCC2)O1)C1CC1 ZINC000096056420 402052606 /nfs/dbraw/zinc/05/26/06/402052606.db2.gz SKVRHJSNGRWEGO-KZNAEPCWSA-N 1 0 309.450 2.462 40 0 DEABRO O=C(CC1CC1)N[C@@H]1C[N@H+](Cc2ccco2)C[C@@H]2CCCO[C@H]12 ZINC000096057121 402053520 /nfs/dbraw/zinc/05/35/20/402053520.db2.gz 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RWRZHMOUEJRKMT-ZJPYXAASSA-N 1 0 312.498 2.072 40 0 DEABRO O=C(c1ccccc1)N1CCC[C@H](c2ncc3c(n2)CC[NH2+]C3)C1 ZINC000019368740 401822277 /nfs/dbraw/zinc/82/22/77/401822277.db2.gz FSLYQUZIUPZVCN-HNNXBMFYSA-N 1 0 322.412 2.142 40 0 DEABRO C[C@@H](O)C[NH2+]CCNCc1ccc(OCc2ccccc2)cc1 ZINC000022075039 401826185 /nfs/dbraw/zinc/82/61/85/401826185.db2.gz JKJGCSYBRISKNI-MRXNPFEDSA-N 1 0 314.429 2.326 40 0 DEABRO CC(=O)Nc1ccc(OC[C@H](O)C[NH2+]C2CCCCC2)cc1 ZINC000026533356 401841100 /nfs/dbraw/zinc/84/11/00/401841100.db2.gz CLRAHLMBIBUIOI-MRXNPFEDSA-N 1 0 306.406 2.307 40 0 DEABRO CC(C)N1C(=O)NC(=O)C12CC[NH+](Cc1ccccc1)CC2 ZINC000031672218 401872681 /nfs/dbraw/zinc/87/26/81/401872681.db2.gz ULAXKFPEZRSMIT-UHFFFAOYSA-N 1 0 301.390 2.186 40 0 DEABRO CN(CC[NH+]1CCCCC1)C(=O)c1ccnc(N2CCCC2)c1 ZINC000036753084 401907791 /nfs/dbraw/zinc/90/77/91/401907791.db2.gz NRXPGGZZEDUSPD-UHFFFAOYSA-N 1 0 316.449 2.240 40 0 DEABRO C[n+]1c2ccccc2c(=O)n2c1[C@@H]1Nc3ccccc3[C@H]1CC2 ZINC000090733848 401987016 /nfs/dbraw/zinc/98/70/16/401987016.db2.gz KFASAPQSLORVRQ-CXAGYDPISA-N 1 0 304.373 2.480 40 0 biogenic,in-vitro DEABRO CCO[C@H]1CO[C@@]2(CC[N@H+](Cc3ccc4c(c3)OCO4)C2)C1 ZINC000096107691 402059122 /nfs/dbraw/zinc/05/91/22/402059122.db2.gz UCFHNRSTGZFLHT-PBHICJAKSA-N 1 0 305.374 2.185 40 0 DEABRO Cc1ccc(C[N@@H+]2C[C@@H]3COC[C@]3(c3nc(C)no3)C2)s1 ZINC000096110035 402059474 /nfs/dbraw/zinc/05/94/74/402059474.db2.gz MRONUOSAEJINIJ-IUODEOHRSA-N 1 0 305.403 2.148 40 0 DEABRO Cc1ccc(C[N@H+]2C[C@@H]3COC[C@]3(CNC(=O)C(C)C)C2)s1 ZINC000096108412 402059609 /nfs/dbraw/zinc/05/96/09/402059609.db2.gz HVKXHUSDTLHEOP-PBHICJAKSA-N 1 0 322.474 2.277 40 0 DEABRO CO[C@@H]1CCN(C(=O)c2ccsc2)[C@@H]2C[N@H+](CC3CC3)C[C@@H]21 ZINC000096108554 402059627 /nfs/dbraw/zinc/05/96/27/402059627.db2.gz CEBKPKBKZAIUMW-ARFHVFGLSA-N 1 0 320.458 2.319 40 0 DEABRO O=C(NCc1cccs1)[C@@H]1C[C@@H]2CC[N@H+](CC3CC3)C[C@H]2O1 ZINC000096043029 402049683 /nfs/dbraw/zinc/04/96/83/402049683.db2.gz CNTKCIYHSDUYEO-CWRNSKLLSA-N 1 0 320.458 2.254 40 0 DEABRO CC(C)NC(=O)[C@H]1C[C@@H]2CC[N@H+](CCc3ccccc3)C[C@H]2O1 ZINC000096042683 402049721 /nfs/dbraw/zinc/04/97/21/402049721.db2.gz NWEYDZJOTSJOBT-RCCFBDPRSA-N 1 0 316.445 2.233 40 0 DEABRO O=C(c1ccsc1)N1C[C@H]2C[NH+](Cc3ccccn3)C[C@@H]2C1 ZINC000096053815 402051525 /nfs/dbraw/zinc/05/15/25/402051525.db2.gz QMXPNEVRFAAXFV-HUUCEWRRSA-N 1 0 313.426 2.347 40 0 DEABRO Cc1ccc(C(=O)N2C[C@H]3C[NH+](Cc4ccccn4)C[C@@H]3C2)o1 ZINC000096053826 402052046 /nfs/dbraw/zinc/05/20/46/402052046.db2.gz QGVNBAXIXLCOND-HUUCEWRRSA-N 1 0 311.385 2.187 40 0 DEABRO COc1ccc(CN2CC[N@@H+]3C[C@H](OCC4CC4)C[C@@H]3C2)cc1 ZINC000096054996 402052472 /nfs/dbraw/zinc/05/24/72/402052472.db2.gz GASPNUSGLRSTIH-IEBWSBKVSA-N 1 0 316.445 2.380 40 0 DEABRO Cc1ccc(C[N@@H+]2CC[C@H]3O[C@H](C(=O)NCC4CC4)CC[C@H]32)o1 ZINC000096057318 402053415 /nfs/dbraw/zinc/05/34/15/402053415.db2.gz ATFMYCGPMHJCLY-ZACQAIPSSA-N 1 0 318.417 2.236 40 0 DEABRO O=C(Nc1cccnc1)[C@@H]1CC[C@@H]2[C@@H](CC[N@@H+]2CC2CC2)O1 ZINC000096065363 402055910 /nfs/dbraw/zinc/05/59/10/402055910.db2.gz QRZVNMQYQULXLT-OAGGEKHMSA-N 1 0 301.390 2.052 40 0 DEABRO COC[C@@H]1C(=O)NCC12CC[NH+](Cc1sccc1C)CC2 ZINC000096206167 402069498 /nfs/dbraw/zinc/06/94/98/402069498.db2.gz KPCBSLGWCALPBE-CYBMUJFWSA-N 1 0 308.447 2.031 40 0 DEABRO Cc1cccc(S(=O)(=O)N2CC[C@]3(C2)CCC[N@@H+](C)C3)c1 ZINC000096215239 402070929 /nfs/dbraw/zinc/07/09/29/402070929.db2.gz GYCDTHMMEVJRKD-MRXNPFEDSA-N 1 0 308.447 2.101 40 0 DEABRO CC[NH+]1CCC2(C=C(C(=O)NCCOC)c3ccccc32)CC1 ZINC000096241609 402073831 /nfs/dbraw/zinc/07/38/31/402073831.db2.gz ZSNDDIDPKKYPGL-UHFFFAOYSA-N 1 0 314.429 2.200 40 0 DEABRO CC1=N[C@@]2(CC[C@@H]3C[N@H+](Cc4ccc(C)cc4)C[C@@H]32)C(=O)N1C ZINC000096261397 402075688 /nfs/dbraw/zinc/07/56/88/402075688.db2.gz RKDQXIRCCDMYGZ-ZIFCJYIRSA-N 1 0 311.429 2.466 40 0 DEABRO c1nc2n(c1-c1ccccc1)C[C@H](C[NH2+]C1CCOCC1)OC2 ZINC000096296454 402076603 /nfs/dbraw/zinc/07/66/03/402076603.db2.gz RYIXAAUGDHJGBW-INIZCTEOSA-N 1 0 313.401 2.218 40 0 biogenic,in-vitro DEABRO CCOC(=O)c1cnc2ccc(CC)cc2c1N1CC[NH2+]CC1 ZINC000062719742 402110250 /nfs/dbraw/zinc/11/02/50/402110250.db2.gz XICSOVKUHPIZDG-UHFFFAOYSA-N 1 0 313.401 2.384 40 0 DEABRO O=C(Cc1ccccn1)N1CCC2(CC([NH+]3CCCC3)C2)CC1 ZINC000096159227 402063394 /nfs/dbraw/zinc/06/33/94/402063394.db2.gz ONCZEHOLWXWWDE-UHFFFAOYSA-N 1 0 313.445 2.491 40 0 DEABRO c1cncc(CN2CCOC3(CC[NH+](CC4CC4)CC3)C2)c1 ZINC000096158807 402063500 /nfs/dbraw/zinc/06/35/00/402063500.db2.gz CLJHYTRYCCHHDN-UHFFFAOYSA-N 1 0 301.434 2.158 40 0 DEABRO COc1cccc(C[N@H+](C)[C@H]2CCC[C@@H]3CN(C(N)=O)C[C@@H]32)c1 ZINC000096183134 402065149 /nfs/dbraw/zinc/06/51/49/402065149.db2.gz MBBSFDJRDCGLQW-PVAVHDDUSA-N 1 0 317.433 2.306 40 0 DEABRO O=C(NC[C@H]1OC[C@@H]2CC[N@H+](Cc3ccsc3)C[C@@H]21)C1CC1 ZINC000096185462 402066142 /nfs/dbraw/zinc/06/61/42/402066142.db2.gz YWCKEDWJJQVKRI-HRCADAONSA-N 1 0 320.458 2.111 40 0 DEABRO Cn1cc(C[N@@H+]2CC[C@H]3[C@@H]2CCC(=O)N3c2ccccc2)cn1 ZINC000096186413 402066302 /nfs/dbraw/zinc/06/63/02/402066302.db2.gz VSCWLYYYACWEDT-IRXDYDNUSA-N 1 0 310.401 2.190 40 0 DEABRO Cn1ncc2c1[C@H](COCC1CC1)C[N@H+](CC1CCOCC1)C2 ZINC000096198320 402067191 /nfs/dbraw/zinc/06/71/91/402067191.db2.gz VIHLYVHBBBLXNF-KRWDZBQOSA-N 1 0 319.449 2.173 40 0 DEABRO c1cncc(C[C@H]2[C@@H](OCC3CC3)CC[N@@H+]2[C@H]2CCOC2)c1 ZINC000096200560 402067904 /nfs/dbraw/zinc/06/79/04/402067904.db2.gz RUSYQJTWRATFLC-BZSNNMDCSA-N 1 0 302.418 2.283 40 0 DEABRO CC(C)[N@H+](C)Cc1cnc2n1CCN(C(=O)CC1CC1)[C@@H]2C ZINC000096201228 402068160 /nfs/dbraw/zinc/06/81/60/402068160.db2.gz XFUNRHNJMMHCQV-CYBMUJFWSA-N 1 0 304.438 2.427 40 0 DEABRO c1ccc(CO[C@H]2CC[C@H]3[C@H]2OCC[N@@H+]3C2CCOCC2)nc1 ZINC000097953758 402133900 /nfs/dbraw/zinc/13/39/00/402133900.db2.gz PLJLRCXBEIUMFG-OKZBNKHCSA-N 1 0 318.417 2.009 40 0 DEABRO C[NH+](C)CCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1ccco1 ZINC000223252304 402310040 /nfs/dbraw/zinc/31/00/40/402310040.db2.gz ODNXWUXNBOGPDB-HUUCEWRRSA-N 1 0 316.430 2.209 40 0 DEABRO COCC[NH+]1CCC(Cc2cnc(-c3cc(C)[nH]n3)cn2)CC1 ZINC000257206929 402703336 /nfs/dbraw/zinc/70/33/36/402703336.db2.gz BFNIDQSEJVXNKU-UHFFFAOYSA-N 1 0 315.421 2.076 40 0 DEABRO CCn1cc(-c2cncc([C@@H]3CCC[N@H+](CCOC)C3)n2)cn1 ZINC000257246971 402708452 /nfs/dbraw/zinc/70/84/52/402708452.db2.gz IWTZJJLFTHQKKJ-CQSZACIVSA-N 1 0 315.421 2.186 40 0 DEABRO Cc1nc[nH]c1C[N@@H+]1CC[C@](C)(O)[C@@H](Oc2ccccc2)C1 ZINC000257261448 402709956 /nfs/dbraw/zinc/70/99/56/402709956.db2.gz LHIQDHYFRLOSKL-IRXDYDNUSA-N 1 0 301.390 2.122 40 0 DEABRO C[NH+]1CCC(c2nccnc2CNC(=O)C2CCCC2)CC1 ZINC000257269739 402711491 /nfs/dbraw/zinc/71/14/91/402711491.db2.gz MRERSZANKVHDOK-UHFFFAOYSA-N 1 0 302.422 2.092 40 0 DEABRO c1cncc(O[C@@H]2CSC3(C[NH+](CC4CCOCC4)C3)C2)c1 ZINC000253477031 402667491 /nfs/dbraw/zinc/66/74/91/402667491.db2.gz CNDSGABQNOFNKD-INIZCTEOSA-N 1 0 320.458 2.447 40 0 DEABRO CCn1cc(C[NH2+]Cc2cnn(CC(F)(F)F)c2)c(C)n1 ZINC000256054814 402700130 /nfs/dbraw/zinc/70/01/30/402700130.db2.gz XXENHLSLDWWTKO-UHFFFAOYSA-N 1 0 301.316 2.260 40 0 DEABRO CC(C)[N@@H+]1CCC[C@H]1C(=O)N1CCC(C)(c2cc[nH]n2)CC1 ZINC000257205642 402702963 /nfs/dbraw/zinc/70/29/63/402702963.db2.gz AZZPNVAMGBKPLH-AWEZNQCLSA-N 1 0 304.438 2.163 40 0 DEABRO Cc1ccc(C(=O)NC[C@@H]2CCC[N@@H+]2C2CCCCC2)nn1 ZINC000333146543 403676901 /nfs/dbraw/zinc/67/69/01/403676901.db2.gz LXLSUGTTZAVZIL-HNNXBMFYSA-N 1 0 302.422 2.312 40 0 DEABRO Cc1ccc(C(=O)NC[C@H]2CCC[N@@H+]2C2CCCCC2)nn1 ZINC000333146545 403677142 /nfs/dbraw/zinc/67/71/42/403677142.db2.gz LXLSUGTTZAVZIL-OAHLLOKOSA-N 1 0 302.422 2.312 40 0 DEABRO CC(C)[C@H]1OCC[C@H]1C(=O)N1C[C@@H](c2cccc(F)c2)[C@H]([NH3+])C1 ZINC000333760894 403849666 /nfs/dbraw/zinc/84/96/66/403849666.db2.gz AKWZMVZCCUQGGV-YYIAUSFCSA-N 1 0 320.408 2.140 40 0 DEABRO CNc1nc(N2CCc3cc(OC)c(OC)cc3C2)cc(C)[nH+]1 ZINC000321102519 404073221 /nfs/dbraw/zinc/07/32/21/404073221.db2.gz CVOWRKNPRWDHGF-UHFFFAOYSA-N 1 0 314.389 2.407 40 0 DEABRO OCCNc1nc(Nc2ccccc2)cc(-c2ccccc2)n1 ZINC000329067686 404218977 /nfs/dbraw/zinc/21/89/77/404218977.db2.gz YKDLOWZZMTWVMG-UHFFFAOYSA-N 1 0 306.369 2.135 40 0 DEABRO Cc1cnc(OC[C@@H]2CCn3nccc3C[N@@H+]2C2CCC2)nc1 ZINC000585096983 405866506 /nfs/dbraw/zinc/86/65/06/405866506.db2.gz GJEMUIPMRYMFQQ-INIZCTEOSA-N 1 0 313.405 2.187 40 0 DEABRO c1ccc(C[N@@H+]2CCc3ncnc(N4CCCC4)c3CC2)nc1 ZINC000096255444 275067160 /nfs/dbraw/zinc/06/71/60/275067160.db2.gz XUZLIFUQMCYPPF-UHFFFAOYSA-N 1 0 309.417 2.073 40 0 DEABRO CCN(CC[NH3+])C[C@H]1CCCN(C(=O)OCc2ccccc2)C1 ZINC000079391797 276124296 /nfs/dbraw/zinc/12/42/96/276124296.db2.gz DYVKLCUTQDBUJB-QGZVFWFLSA-N 1 0 319.449 2.316 40 0 DEABRO CC(=O)NC1CCC([NH2+][C@H]2CCCO[C@@H]2c2ccncc2)CC1 ZINC000275683141 278089499 /nfs/dbraw/zinc/08/94/99/278089499.db2.gz WLAPOTMXIOFQIO-ZGUYJTEBSA-N 1 0 317.433 2.339 40 0 DEABRO CC(C)N(C(=O)C[NH3+])C1CCC(NC(=O)OC(C)(C)C)CC1 ZINC000079391126 279274295 /nfs/dbraw/zinc/27/42/95/279274295.db2.gz OMKVBVRLIJKGES-UHFFFAOYSA-N 1 0 313.442 2.018 40 0 DEABRO CC(C)N(C(=O)OC(C)(C)C)[C@H]1CCCC[C@H]1NC(=O)C[NH3+] ZINC000079409332 279299462 /nfs/dbraw/zinc/29/94/62/279299462.db2.gz WLGVPGAFQHBHQX-OLZOCXBDSA-N 1 0 313.442 2.018 40 0 DEABRO Cc1cccc(CN2Cc3ccnn3[C@H](C[NH+]3CCCC3)C2)n1 ZINC000306143977 281217700 /nfs/dbraw/zinc/21/77/00/281217700.db2.gz YSMCIIXUXSCWCT-GOSISDBHSA-N 1 0 311.433 2.239 40 0 DEABRO c1csc(CN2Cc3cncn3[C@@H](C[NH+]3CCCCC3)C2)n1 ZINC000306123207 534522102 /nfs/dbraw/zinc/52/21/02/534522102.db2.gz AHGBYSSFCYHZAQ-HNNXBMFYSA-N 1 0 317.462 2.382 40 0 DEABRO CC(C)N(C(=O)OCc1ccccc1)[C@H]1CCC[N@H+](CCO)C1 ZINC000079411151 185169852 /nfs/dbraw/zinc/16/98/52/185169852.db2.gz NYQJXGOHNLAGIF-KRWDZBQOSA-N 1 0 320.433 2.490 40 0 DEABRO [NH3+]CCN(C[C@H]1CCN(C(=O)OCc2ccccc2)C1)C1CC1 ZINC000079391857 185168497 /nfs/dbraw/zinc/16/84/97/185168497.db2.gz ARRZYMAJRWRFKB-MRXNPFEDSA-N 1 0 317.433 2.068 40 0 DEABRO CC[N@H+](CCN)C1CCN(C(=O)OCc2ccccc2)CC1 ZINC000079391789 185168566 /nfs/dbraw/zinc/16/85/66/185168566.db2.gz VLVOHPTYECSDBE-UHFFFAOYSA-N 1 0 305.422 2.068 40 0 DEABRO c1cc(CN2CC[C@@H]3[C@H]2CC[N@H+]3CC2CCOCC2)ccn1 ZINC000306144283 231091224 /nfs/dbraw/zinc/09/12/24/231091224.db2.gz ZBDVTIFYPZORBF-QZTJIDSGSA-N 1 0 301.434 2.157 40 0 DEABRO CC(C)NC(=O)c1ccccc1NC(=O)C1CC[NH+](C)CC1 ZINC000174608682 198358673 /nfs/dbraw/zinc/35/86/73/198358673.db2.gz MCFKKVCYUOWTLZ-UHFFFAOYSA-N 1 0 303.406 2.105 40 0 DEABRO C[C@@H]1CCc2c(nc3ncnn3c2NCC[C@@H]2CCC[N@@H+]2C)C1 ZINC000004516985 181118946 /nfs/dbraw/zinc/11/89/46/181118946.db2.gz GQPWCKVLROAUMJ-OLZOCXBDSA-N 1 0 314.437 2.145 40 0 DEABRO COc1cc(OC)c([C@@H](C[NH3+])N2CCC[C@H](C)C2)c(OC)c1 ZINC000108349943 355734326 /nfs/dbraw/zinc/73/43/26/355734326.db2.gz HURJVMTZXCIYKX-GXTWGEPZSA-N 1 0 308.422 2.444 40 0 DEABRO Nc1ccc(N2CC[NH+](Cc3ccccc3)CC2)c(C(=O)[O-])c1 ZINC000136897769 355869058 /nfs/dbraw/zinc/86/90/58/355869058.db2.gz AGWXQIYPQLFAFL-UHFFFAOYSA-N 1 0 311.385 2.289 40 0 DEABRO C[N@@H+]1CCC[C@@]12CCCN(C(=O)Cc1cccc(O)c1)CC2 ZINC000585100111 357333004 /nfs/dbraw/zinc/33/30/04/357333004.db2.gz FVELSOXPPBVGEL-SFHVURJKSA-N 1 0 302.418 2.412 40 0 DEABRO Cc1n[nH]cc1C[N@@H+]1CCC[C@@](O)(COc2cccc(F)c2)C1 ZINC000585274858 357342431 /nfs/dbraw/zinc/34/24/31/357342431.db2.gz PSLGGUROBCYMCH-KRWDZBQOSA-N 1 0 319.380 2.263 40 0 DEABRO Cc1ccccc1O[C@@H]1CCC[C@H]([NH2+]C2CCN(C)CC2)[C@H]1O ZINC000585289647 357345046 /nfs/dbraw/zinc/34/50/46/357345046.db2.gz TYMORSDNIFUELY-QXAKKESOSA-N 1 0 318.461 2.340 40 0 DEABRO O=C(N[C@@H]1CCCC[C@@H]([NH+]2CCCC2)[C@@H]1O)c1ccsc1 ZINC000257303328 203028244 /nfs/dbraw/zinc/02/82/44/203028244.db2.gz SGTGQUMADNQTAL-RBSFLKMASA-N 1 0 308.447 2.246 40 0 DEABRO CC(C)c1ncc(C(=O)N2CC[NH2+]C[C@H]2c2ccccc2)cn1 ZINC000257287251 203014195 /nfs/dbraw/zinc/01/41/95/203014195.db2.gz PPDPBKIAXFHDBK-INIZCTEOSA-N 1 0 310.401 2.387 40 0 DEABRO COc1cc(N2CCC[C@]3(CC[N@H+](CC4CC4)C3)C2)ncn1 ZINC000096216584 193585605 /nfs/dbraw/zinc/58/56/05/193585605.db2.gz QIEBAPVNYSILCC-QGZVFWFLSA-N 1 0 302.422 2.188 40 0 DEABRO O=C1NC2(C[C@@H]1c1ccncc1)CC[NH+](Cc1ccccn1)CC2 ZINC000096199543 193575517 /nfs/dbraw/zinc/57/55/17/193575517.db2.gz BDMLLXKJPLFPQF-QGZVFWFLSA-N 1 0 322.412 2.115 40 0 DEABRO O[C@@H]1C[C@@H](c2nc(-c3cccnc3)no2)N(Cc2ccccc2)C1 ZINC000015674484 182011953 /nfs/dbraw/zinc/01/19/53/182011953.db2.gz ZFGHDHZWQFQSBU-CVEARBPZSA-N 1 0 322.368 2.440 40 0 biogenic,in-vitro DEABRO Cn1cc(CN2CC[NH+](CC3(c4ccccc4)CC3)CC2)cn1 ZINC000019290703 182112463 /nfs/dbraw/zinc/11/24/63/182112463.db2.gz FSECZRZBRMAENB-UHFFFAOYSA-N 1 0 310.445 2.270 40 0 DEABRO COc1ccc(C[N@@H+]2CCC[C@H](c3nc(C)cc(=O)[nH]3)C2)cc1 ZINC000019117953 182105236 /nfs/dbraw/zinc/10/52/36/182105236.db2.gz BYBHMPMXNHHYSZ-HNNXBMFYSA-N 1 0 313.401 2.467 40 0 DEABRO CC[NH+]1CCN([C@H](c2nnnn2CCC(C)C)C(C)C)CC1 ZINC000019528105 182127997 /nfs/dbraw/zinc/12/79/97/182127997.db2.gz SLEDQLPHRIHZMY-HNNXBMFYSA-N 1 0 308.474 2.054 40 0 DEABRO COc1cc(OC)c(OC)cc1CN1C[C@H]2CCC[N@@H+]2C[C@@H]1C ZINC000019575714 182131391 /nfs/dbraw/zinc/13/13/91/182131391.db2.gz VCQHZJOZCOBRGY-DZGCQCFKSA-N 1 0 320.433 2.381 40 0 DEABRO CCCC(=O)Nc1cc(N2CC[NH+](C)CC2)c(N)cc1Cl ZINC000057326736 184033577 /nfs/dbraw/zinc/03/35/77/184033577.db2.gz GPVJGANQJZRMLH-UHFFFAOYSA-N 1 0 310.829 2.413 40 0 DEABRO O=C(NC[C@H]1CCCO1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000060580309 184152580 /nfs/dbraw/zinc/15/25/80/184152580.db2.gz SNRAQBYPRGFDGU-IAGOWNOFSA-N 1 0 302.418 2.194 40 0 DEABRO COc1ccc([C@@H]2[C@@H]([NH3+])[C@H]2S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000242574920 257120105 /nfs/dbraw/zinc/12/01/05/257120105.db2.gz NJLMFCVZIITXAR-ZACQAIPSSA-N 1 0 317.410 2.271 40 0 DEABRO CC(C)CC[N@H+]1C[C@@H]2[C@H](C1)Oc1cc(F)ccc1C(=O)N2C ZINC000514288658 257216570 /nfs/dbraw/zinc/21/65/70/257216570.db2.gz OQZZNLPTMCLZSE-ZBFHGGJFSA-N 1 0 306.381 2.389 40 0 biogenic,in-vitro DEABRO Cn1nc(-c2cccs2)cc1[C@H]1C[N@@H+]2CC[C@H]1C[C@@H]2CO ZINC000008635302 401754342 /nfs/dbraw/zinc/75/43/42/401754342.db2.gz ZGNLAIYNIMJPEJ-XQQFMLRXSA-N 1 0 303.431 2.319 40 0 biogenic,in-vitro DEABRO COc1cccc(OC)c1OC[C@H](O)C[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000012170290 401781048 /nfs/dbraw/zinc/78/10/48/401781048.db2.gz APTCTONTNWIXCI-RBSFLKMASA-N 1 0 323.433 2.421 40 0 DEABRO CCOC(=O)[C@@H](C[NH2+]C)Cc1cccc(Br)c1 ZINC000012649782 401789381 /nfs/dbraw/zinc/78/93/81/401789381.db2.gz KULGTGIAOZLSEB-LLVKDONJSA-N 1 0 300.196 2.390 40 0 DEABRO [NH2+]=C1NC2=C(CN(C3CCCCC3)C2=O)[C@@H](c2ccccc2)N1 ZINC000017004549 401819969 /nfs/dbraw/zinc/81/99/69/401819969.db2.gz JRNIBYOGQKEJOB-OAHLLOKOSA-N 1 0 310.401 2.075 40 0 DEABRO C[C@H]1C[NH+](CCCCN2C(=O)c3ccccc3C2=O)C[C@H](C)O1 ZINC000025326439 401833041 /nfs/dbraw/zinc/83/30/41/401833041.db2.gz OCMWTSBWJSCCOO-KBPBESRZSA-N 1 0 316.401 2.172 40 0 DEABRO COc1ccc(CC(=O)NCCC[NH+]2CCC(C)CC2)cc1 ZINC000030757762 401865303 /nfs/dbraw/zinc/86/53/03/401865303.db2.gz RKKARIDEFNUXAG-UHFFFAOYSA-N 1 0 304.434 2.476 40 0 DEABRO C[C@H]1C[NH+](C[C@H](O)COCc2ccc(Cl)cc2)C[C@H](C)O1 ZINC000034936002 401894451 /nfs/dbraw/zinc/89/44/51/401894451.db2.gz GLKNABKGKCGHNA-XEZPLFJOSA-N 1 0 313.825 2.327 40 0 DEABRO COc1ccc(C)cc1NC(=O)COc1cccc(C[NH3+])c1 ZINC000036720779 401907234 /nfs/dbraw/zinc/90/72/34/401907234.db2.gz CDUVCKBRAHHFKN-UHFFFAOYSA-N 1 0 300.358 2.480 40 0 DEABRO NC(=[NH2+])SCc1nc(-c2ccccc2OC(F)F)no1 ZINC000089262061 401940532 /nfs/dbraw/zinc/94/05/32/401940532.db2.gz AGGAKUFCFWGZNM-UHFFFAOYSA-N 1 0 300.290 2.465 40 0 DEABRO CC(=O)N1CCO[C@@H]2C[N@H+](Cc3cccc(Cl)c3)C[C@@H]2C1 ZINC000096108062 402059638 /nfs/dbraw/zinc/05/96/38/402059638.db2.gz GSQVZLGSUVKBLL-GDBMZVCRSA-N 1 0 308.809 2.019 40 0 DEABRO CC(C)(C)OC(=O)N1CC[C@](O)(/C=C/c2ccccc2)[C@H]([NH3+])C1 ZINC000095951392 402036164 /nfs/dbraw/zinc/03/61/64/402036164.db2.gz HWCDIWRBWBGUPO-NKUAOLACSA-N 1 0 318.417 2.399 40 0 DEABRO Cc1cccc2c1nc1n2[C@@H](C[NH2+]C2CCOCC2)COC1 ZINC000096112647 402060324 /nfs/dbraw/zinc/06/03/24/402060324.db2.gz SRUDHUUHZHNXAL-AWEZNQCLSA-N 1 0 301.390 2.185 40 0 biogenic,in-vitro DEABRO CC(C)C[N@@H+]1C[C@H](C(=O)Nc2cccnc2)C[C@H]2OCC[C@H]21 ZINC000096038959 402048222 /nfs/dbraw/zinc/04/82/22/402048222.db2.gz UWBPHNNJUFOTFV-FVQBIDKESA-N 1 0 303.406 2.156 40 0 DEABRO Cc1cc(CN2C[C@@H]([N@@H+](C)C(C)C)[C@H]3OCCC[C@H]3C2)no1 ZINC000096040591 402048850 /nfs/dbraw/zinc/04/88/50/402048850.db2.gz VEJKPFJMANSKGE-UAGQMJEPSA-N 1 0 307.438 2.303 40 0 DEABRO C(C1CCOCC1)[N@@H+]1C[C@@H]2C[C@@H](c3nnc(C4CC4)o3)O[C@@H]2C1 ZINC000096045835 402050535 /nfs/dbraw/zinc/05/05/35/402050535.db2.gz NQGSBEORUOLKNX-SOUVJXGZSA-N 1 0 319.405 2.135 40 0 DEABRO COCCN1C(=O)CC[C@@]12CCC[N@H+](Cc1ccncc1)CC2 ZINC000096047530 402050565 /nfs/dbraw/zinc/05/05/65/402050565.db2.gz AQJDMNMFVFHVCU-GOSISDBHSA-N 1 0 317.433 2.075 40 0 DEABRO COCCN1CCOC[C@@]2(CCC[N@H+](Cc3cccs3)C2)C1 ZINC000096049456 402050894 /nfs/dbraw/zinc/05/08/94/402050894.db2.gz SSJAKBHHDFLBNL-KRWDZBQOSA-N 1 0 324.490 2.309 40 0 DEABRO O=C([C@H]1C[N@H+](Cc2ccco2)CC12CCOCC2)N1CCCC1 ZINC000096052171 402051987 /nfs/dbraw/zinc/05/19/87/402051987.db2.gz LIJYGAKGQCGZSP-MRXNPFEDSA-N 1 0 318.417 2.131 40 0 DEABRO c1cc(CN2CC[N@@H+]3C[C@@H](OCc4ccccn4)C[C@@H]3C2)co1 ZINC000096055115 402052466 /nfs/dbraw/zinc/05/24/66/402052466.db2.gz ZTYRPVKALQMTBF-MSOLQXFVSA-N 1 0 313.401 2.150 40 0 DEABRO O=C(NCC1CC1)[C@H]1C[C@H]2OCC[C@H]2[N@H+](Cc2ccsc2)C1 ZINC000096057595 402053438 /nfs/dbraw/zinc/05/34/38/402053438.db2.gz WFUMTNUTUXGOLI-ARFHVFGLSA-N 1 0 320.458 2.254 40 0 DEABRO COCCn1c(=O)ccc2c1CC[C@@H]([NH2+]Cc1cccs1)C2 ZINC000096059344 402054233 /nfs/dbraw/zinc/05/42/33/402054233.db2.gz TVBUZKMAPJIKOT-CQSZACIVSA-N 1 0 318.442 2.203 40 0 DEABRO O=C1N[C@@H](c2ccccc2)C12CC[NH+](CC1CCOCC1)CC2 ZINC000096080427 402056938 /nfs/dbraw/zinc/05/69/38/402056938.db2.gz JOLSGEMMSYZCPR-KRWDZBQOSA-N 1 0 314.429 2.366 40 0 DEABRO c1cnc(NC[C@@H]2CO[C@@]3(C2)CCC[N@H+](CC2CC2)C3)nc1 ZINC000096075796 402057150 /nfs/dbraw/zinc/05/71/50/402057150.db2.gz SESLLRUXPFAIIQ-NVXWUHKLSA-N 1 0 302.422 2.170 40 0 DEABRO c1cnc(N[C@@H]2CCO[C@]3(CC[N@@H+](C4CCCC4)C3)C2)nc1 ZINC000096207072 402069331 /nfs/dbraw/zinc/06/93/31/402069331.db2.gz HWDKEZNQGTZIQO-RHSMWYFYSA-N 1 0 302.422 2.455 40 0 DEABRO c1cc(C[N@H+]2CC[C@]3(C[C@H](OCC4CCOCC4)CO3)C2)co1 ZINC000096209434 402070293 /nfs/dbraw/zinc/07/02/93/402070293.db2.gz NPWNGLBCVYDWAN-ROUUACIJSA-N 1 0 321.417 2.456 40 0 DEABRO Cc1ccc(C[N@@H+]2C[C@@H]3C[C@@H](Cc4nc(C)no4)O[C@@H]3C2)o1 ZINC000096218610 402071387 /nfs/dbraw/zinc/07/13/87/402071387.db2.gz QDNYSVDFVAWPEM-AEGPPILISA-N 1 0 303.362 2.111 40 0 DEABRO O=C1C[C@]2(CC[N@H+](Cc3ccncc3)C2)CN1c1ccccn1 ZINC000096239159 402074104 /nfs/dbraw/zinc/07/41/04/402074104.db2.gz CEENCDMXDGQWQJ-SFHVURJKSA-N 1 0 308.385 2.106 40 0 DEABRO Cc1ccc(C[NH+]2CCC[C@]3(C(=O)[O-])C[N@H+](C)C[C@@H]3C2)s1 ZINC000096185149 402065348 /nfs/dbraw/zinc/06/53/48/402065348.db2.gz NPPCFEJDULAHJG-CJNGLKHVSA-N 1 0 308.447 2.285 40 0 DEABRO O=C1CC[C@H]2[C@H](CC[N@@H+]2C[C@@H]2CCOC2)N1c1ccccc1 ZINC000096186443 402066083 /nfs/dbraw/zinc/06/60/83/402066083.db2.gz XXMVPFZMHZSBTL-XIRDDKMYSA-N 1 0 300.402 2.293 40 0 DEABRO CC[NH+](CC)Cc1cn2c(n1)CN(C(=O)C1CC=CC1)CC2 ZINC000096197196 402067445 /nfs/dbraw/zinc/06/74/45/402067445.db2.gz YRPXQEVWLMTZQO-UHFFFAOYSA-N 1 0 302.422 2.033 40 0 DEABRO CC(C)[N@H+](C)Cc1cnc2n1CCN(Cc1cnn(C)c1)[C@H]2C ZINC000096201201 402068126 /nfs/dbraw/zinc/06/81/26/402068126.db2.gz DKARPMWNLWXCEO-AWEZNQCLSA-N 1 0 316.453 2.034 40 0 DEABRO Cc1cccc(C[N@@H+]2CC[C@H]3C[C@@H](C(=O)NC4CC4)O[C@@H]3C2)c1 ZINC000097953821 402133715 /nfs/dbraw/zinc/13/37/15/402133715.db2.gz GOMWXRTUDCGHKE-RYQLBKOJSA-N 1 0 314.429 2.253 40 0 DEABRO O=C([C@H]1CC[C@@H]2[C@@H](CC[N@@H+]2Cc2ccoc2)O1)N1CCCC1 ZINC000107207790 402227621 /nfs/dbraw/zinc/22/76/21/402227621.db2.gz UXRHORKILHGBLX-BZUAXINKSA-N 1 0 304.390 2.024 40 0 DEABRO Cc1cccc(CN2CC[C@]3(CC[N@@H+]([C@H]4CCOC4)C3)C2=O)c1 ZINC000107194189 402227721 /nfs/dbraw/zinc/22/77/21/402227721.db2.gz JSRGPKBCSAYGIF-PKOBYXMFSA-N 1 0 314.429 2.208 40 0 DEABRO c1ccc(C[N@@H+]2CC[C@]3(C[C@@H](Nc4ncccn4)CO3)C2)cc1 ZINC000107226385 402228160 /nfs/dbraw/zinc/22/81/60/402228160.db2.gz RDRFNLKMUOMENY-AEFFLSMTSA-N 1 0 310.401 2.322 40 0 DEABRO Cc1noc(C)c1C[N@H+]1CC[C@@H]2[C@H](CC1)OCCN2CC1CC1 ZINC000107254942 402228740 /nfs/dbraw/zinc/22/87/40/402228740.db2.gz YWJTZULSFFEVBM-MSOLQXFVSA-N 1 0 319.449 2.367 40 0 DEABRO Cn1cc(C[N@@H+]2CC[C@@H]3OCCC[C@@]3(COCC3CC3)C2)cn1 ZINC000107711940 402239202 /nfs/dbraw/zinc/23/92/02/402239202.db2.gz TUDBNEXZGGSTBJ-ROUUACIJSA-N 1 0 319.449 2.218 40 0 DEABRO CNC(=O)[C@@H]1CCC[C@@]12CC[N@H+](Cc1ccc3c(c1)CCO3)C2 ZINC000108534952 402256576 /nfs/dbraw/zinc/25/65/76/402256576.db2.gz ICWKIBFULSGUCC-LPHOPBHVSA-N 1 0 314.429 2.360 40 0 DEABRO [NH3+]C[C@@H]1CCN(c2ccccc2Oc2ccccc2)S1(=O)=O ZINC000222546174 402307986 /nfs/dbraw/zinc/30/79/86/402307986.db2.gz GCKXCWGGJJIXPJ-AWEZNQCLSA-N 1 0 318.398 2.346 40 0 DEABRO Cc1ccc(CN2C[C@H]3C[C@@H](C(=O)N4CCCC4)[C@@H](C2)O3)cc1 ZINC000248052943 402581641 /nfs/dbraw/zinc/58/16/41/402581641.db2.gz BMQNCDQDHVKOGF-KZNAEPCWSA-N 1 0 314.429 2.207 40 0 DEABRO Cc1[nH+]cc2cnc([C@H]3CCCN3C(=O)c3cccnc3)cn12 ZINC000257220071 402704836 /nfs/dbraw/zinc/70/48/36/402704836.db2.gz DJKDXBLRJIHDHT-MRXNPFEDSA-N 1 0 307.357 2.410 40 0 DEABRO Cc1c[nH]c([C@@H]2CCCN(C(=O)C[NH+]3CCCCCC3)C2)n1 ZINC000257238113 402706799 /nfs/dbraw/zinc/70/67/99/402706799.db2.gz HJQBSXZYDKVZQS-OAHLLOKOSA-N 1 0 304.438 2.300 40 0 DEABRO Cn1nc([C@H]2C[NH2+]CCO2)cc1CCOc1ccc(Cl)cc1 ZINC000257235887 402706985 /nfs/dbraw/zinc/70/69/85/402706985.db2.gz GZZGFPQYNMTQLH-MRXNPFEDSA-N 1 0 321.808 2.356 40 0 DEABRO CN(C)C(=O)C[N@@H+]1CCOC[C@H](Cc2ccc3ccoc3c2)C1 ZINC000257246110 402708159 /nfs/dbraw/zinc/70/81/59/402708159.db2.gz ISNCZYYVDXLLTE-OAHLLOKOSA-N 1 0 316.401 2.012 40 0 DEABRO CN(C(=O)CCc1ccccc1)[C@@H]1CC[C@@H]([NH+]2CCCC2)[C@@H]1O ZINC000257257362 402709500 /nfs/dbraw/zinc/70/95/00/402709500.db2.gz KPGCLDRTZMNIAU-ZHALLVOQSA-N 1 0 316.445 2.065 40 0 DEABRO C[N@@H+]1CCC[C@@H](Cc2cccc(N3CCC(O)CC3)n2)CC1 ZINC000257269743 402711606 /nfs/dbraw/zinc/71/16/06/402711606.db2.gz MRFAEMVRPDYHOG-OAHLLOKOSA-N 1 0 303.450 2.317 40 0 DEABRO COc1ccc(CC(=O)N2CCCC[C@H]3C[NH2+]CC[C@H]32)cc1 ZINC000257203875 286298151 /nfs/dbraw/zinc/29/81/51/286298151.db2.gz ASAKHDFWFVMIFR-DOTOQJQBSA-N 1 0 302.418 2.228 40 0 DEABRO Cc1nn(C)c(C)c1CCC(=O)N1CCC(c2c[nH]cn2)CC1 ZINC000333173820 403685059 /nfs/dbraw/zinc/68/50/59/403685059.db2.gz QMKSBMLBZWAGOU-UHFFFAOYSA-N 1 0 315.421 2.099 40 0 DEABRO COc1ccc([C@H]2CN(c3cncnc3)[C@@H]3CC[NH2+]C[C@@H]32)cc1 ZINC000257328875 286379049 /nfs/dbraw/zinc/37/90/49/286379049.db2.gz XHLIXMQTXQYXJL-KZNAEPCWSA-N 1 0 310.401 2.067 40 0 DEABRO O=C(Cc1c[nH]c2ncccc12)N1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000333783195 403859873 /nfs/dbraw/zinc/85/98/73/403859873.db2.gz DYUPTYPURDGNIQ-XJKSGUPXSA-N 1 0 312.417 2.096 40 0 DEABRO c1cc2n(n1)CC[C@@H](COc1cnccn1)[N@@H+](CC1CCC1)C2 ZINC000585097247 405866303 /nfs/dbraw/zinc/86/63/03/405866303.db2.gz JDIUHPIAFILUBP-INIZCTEOSA-N 1 0 313.405 2.127 40 0 DEABRO CCOCCOCc1ccc(O[C@H](O)CC[NH2+]C(C)C)cc1 ZINC000584578367 337367594 /nfs/dbraw/zinc/36/75/94/337367594.db2.gz SITKYYKDXYLTAU-KRWDZBQOSA-N 1 0 311.422 2.325 40 0 DEABRO C[C@@]12C[C@@H](CC(C)(C)C1)[N@H+](Cc1oc(CO)cc(=O)c1O)C2 ZINC000079189954 185161253 /nfs/dbraw/zinc/16/12/53/185161253.db2.gz YCAFKKRJYVISFP-PIGZYNQJSA-N 1 0 307.390 2.238 40 0 DEABRO CCN(C[C@H]1CCCCN1CC[NH3+])C(=O)OCc1ccccc1 ZINC000079411598 185169906 /nfs/dbraw/zinc/16/99/06/185169906.db2.gz NLFTXXIJXZJDHL-QGZVFWFLSA-N 1 0 319.449 2.458 40 0 DEABRO CCN(C[C@@H]1CCCCN1CC[NH3+])C(=O)OCc1ccccc1 ZINC000079411591 185170064 /nfs/dbraw/zinc/17/00/64/185170064.db2.gz NLFTXXIJXZJDHL-KRWDZBQOSA-N 1 0 319.449 2.458 40 0 DEABRO CC(C)[C@H]([NH3+])C(=O)N(Cc1ccc2c(c1)OCCO2)C(C)C ZINC000079418846 185170741 /nfs/dbraw/zinc/17/07/41/185170741.db2.gz WGTNNZUXYAVMCW-INIZCTEOSA-N 1 0 306.406 2.178 40 0 DEABRO c1ccc(NC[C@@H]2CO[C@@H]3C[N@H+](Cc4cccnc4)C[C@H]23)nc1 ZINC000306137724 231089260 /nfs/dbraw/zinc/08/92/60/231089260.db2.gz RECDCIVPPPOLRI-BRWVUGGUSA-N 1 0 310.401 2.036 40 0 DEABRO [NH3+]C1CCN(C(=O)c2cc(-c3cccc(Cl)c3)n[nH]2)CC1 ZINC000072221288 191077036 /nfs/dbraw/zinc/07/70/36/191077036.db2.gz HQDQBJFTNWCUMD-UHFFFAOYSA-N 1 0 304.781 2.293 40 0 DEABRO O=C(Nc1cccc(F)c1)c1cncc(C2CC[NH2+]CC2)n1 ZINC000072365598 191134289 /nfs/dbraw/zinc/13/42/89/191134289.db2.gz BKGCZLHVHQHEAY-UHFFFAOYSA-N 1 0 300.337 2.335 40 0 DEABRO c1ccc(CCN2CCn3c(nnc3[C@@H]3CCCC[NH2+]3)C2)cc1 ZINC000072374070 191138841 /nfs/dbraw/zinc/13/88/41/191138841.db2.gz QSNLDYDBBJPWCU-INIZCTEOSA-N 1 0 311.433 2.151 40 0 DEABRO Cn1cc(C[N@@H+]2CCC[C@H](c3nnc(-c4cccnc4)o3)C2)cn1 ZINC000072389995 191147905 /nfs/dbraw/zinc/14/79/05/191147905.db2.gz JUOMZSBWPPOAGB-HNNXBMFYSA-N 1 0 324.388 2.245 40 0 DEABRO C[N@@H+]1CCC[C@H](c2cncc(C(=O)NCCc3ccccc3)n2)C1 ZINC000072387117 191145281 /nfs/dbraw/zinc/14/52/81/191145281.db2.gz FIQHVJXGGYTPKV-INIZCTEOSA-N 1 0 324.428 2.258 40 0 DEABRO Cc1cccc(CS(=O)(=O)NCCC2CC[NH+](C)CC2)c1 ZINC000173088872 198183792 /nfs/dbraw/zinc/18/37/92/198183792.db2.gz GXABBXJYXCNPQR-UHFFFAOYSA-N 1 0 310.463 2.146 40 0 DEABRO Cc1ccc(OCC(=O)N2CC[NH+]=Cc3cc(N)ccc32)cc1 ZINC000073642419 191335033 /nfs/dbraw/zinc/33/50/33/191335033.db2.gz YMOOUOUPBCDFNB-UHFFFAOYSA-N 1 0 309.369 2.422 40 0 DEABRO [NH3+]C[C@H]1[C@@H](c2cccc(F)c2)[C@@H]1S(=O)(=O)c1ccccc1 ZINC000218630098 356273684 /nfs/dbraw/zinc/27/36/84/356273684.db2.gz QRVWNRYQMJGWOY-ARFHVFGLSA-N 1 0 305.374 2.340 40 0 DEABRO CCOC[C@H]1CC[N@H+](C)C2(CN(Cc3scnc3C)C2)C1 ZINC000585102629 357333051 /nfs/dbraw/zinc/33/30/51/357333051.db2.gz CQKNDNAABWVGGH-AWEZNQCLSA-N 1 0 309.479 2.384 40 0 DEABRO CC(C)CC(=O)N1Cc2ccnn2[C@H](CC[NH+]2CCCC2)C1 ZINC000585112625 357335291 /nfs/dbraw/zinc/33/52/91/357335291.db2.gz UKPBVUWLYHCKTH-MRXNPFEDSA-N 1 0 304.438 2.298 40 0 DEABRO CO[C@@]1(CCC(=O)N(C)C)CCC[N@H+](Cc2ccncc2C)C1 ZINC000585275271 357342120 /nfs/dbraw/zinc/34/21/20/357342120.db2.gz BOTIJEQOMHKHHF-GOSISDBHSA-N 1 0 319.449 2.239 40 0 DEABRO CNC(=O)C[C@]1(COC)CCC[N@@H+]1Cc1c(F)cccc1F ZINC000585276327 357342734 /nfs/dbraw/zinc/34/27/34/357342734.db2.gz GKXHDKAWARQEAJ-INIZCTEOSA-N 1 0 312.360 2.082 40 0 DEABRO Fc1ccc(Nc2ncc(F)c(C[C@H]3CCC[NH2+]C3)n2)nc1 ZINC000257280635 203007843 /nfs/dbraw/zinc/00/78/43/203007843.db2.gz OLQYDIOEYSVMEI-SNVBAGLBSA-N 1 0 305.332 2.436 40 0 DEABRO Cc1cncc(C2CC[NH+](Cc3cnc(N(C)C)nc3)CC2)n1 ZINC000257282139 203010250 /nfs/dbraw/zinc/01/02/50/203010250.db2.gz OSLVXTMNRGVEAU-UHFFFAOYSA-N 1 0 312.421 2.021 40 0 DEABRO CC(C)[NH+]1CCC(Cc2cc(N3C[C@H](C)OC3=O)ncn2)CC1 ZINC000257284558 203011901 /nfs/dbraw/zinc/01/19/01/203011901.db2.gz PDDBHPQMZHFIIE-ZDUSSCGKSA-N 1 0 318.421 2.485 40 0 DEABRO C[N@@H+]1CCCC[C@@H]2N(C(=O)COc3cccnc3)CCC[C@@]21C ZINC000257289965 203015529 /nfs/dbraw/zinc/01/55/29/203015529.db2.gz QAYHZGZCLXRPIH-WMZOPIPTSA-N 1 0 317.433 2.326 40 0 DEABRO CN(c1cnccn1)[C@@H]1CC[C@@H]2C[N@H+](Cc3ccccn3)C[C@H]12 ZINC000257342472 203065114 /nfs/dbraw/zinc/06/51/14/203065114.db2.gz ZOTPNDCRIFSACJ-HYVNUMGLSA-N 1 0 309.417 2.218 40 0 DEABRO c1cc(C[NH+]2CCC3(C[C@H](Nc4ncccn4)CO3)CC2)co1 ZINC000096221554 193589571 /nfs/dbraw/zinc/58/95/71/193589571.db2.gz ARTQYLXAAIWYFO-HNNXBMFYSA-N 1 0 314.389 2.305 40 0 DEABRO O=C(c1ccccc1)N1C[C@@H]2CC[N@H+](C[C@H]3CCCO3)C[C@@H]2C1 ZINC000096246146 193598137 /nfs/dbraw/zinc/59/81/37/193598137.db2.gz PHSWNUKETDUKQZ-RCCFBDPRSA-N 1 0 314.429 2.260 40 0 DEABRO O=C(c1ccccc1)N1CCc2nc(C3CC[NH2+]CC3)ncc2C1 ZINC000019368926 182119622 /nfs/dbraw/zinc/11/96/22/182119622.db2.gz IAJRZYYMRNAPQJ-UHFFFAOYSA-N 1 0 322.412 2.142 40 0 DEABRO COc1cccc(O[C@H](C)C(=O)NCCC[NH+]2CCCC2)c1 ZINC000020483163 182223094 /nfs/dbraw/zinc/22/30/94/182223094.db2.gz ISDNVSHECBOUDK-CQSZACIVSA-N 1 0 306.406 2.065 40 0 DEABRO COc1cc(CCN2CC[NH+](C(C)C)CC2)cc(OC)c1OC ZINC000022594714 182326981 /nfs/dbraw/zinc/32/69/81/182326981.db2.gz NOLUPKVJWDSOJS-UHFFFAOYSA-N 1 0 322.449 2.281 40 0 DEABRO C(C[NH+]1CCCCC1)N1CCO[C@H]2[C@@H](OCC3CC3)CC[C@@H]21 ZINC000096042101 256554708 /nfs/dbraw/zinc/55/47/08/256554708.db2.gz OJZXKKGWCJAELF-OKZBNKHCSA-N 1 0 308.466 2.131 40 0 DEABRO COc1ccc([C@@H]2[C@H](C[NH3+])[C@H]2S(=O)(=O)c2ccccc2)cc1 ZINC000242677058 257119992 /nfs/dbraw/zinc/11/99/92/257119992.db2.gz SXJFNECNOKYECL-GVDBMIGSSA-N 1 0 317.410 2.210 40 0 DEABRO CC(C)(C)OC(=O)N1CCC[C@@H]([C@](O)(C[NH3+])c2ccccc2)C1 ZINC000072208101 257127896 /nfs/dbraw/zinc/12/78/96/257127896.db2.gz QRWKUVKFTZFVNW-QAPCUYQASA-N 1 0 320.433 2.480 40 0 DEABRO C[N@H+]1[C@@H]2CC[C@H]1CC[C@@H](OC(=O)[C@@H](CO)c1ccccc1)C2 ZINC000005525731 401730328 /nfs/dbraw/zinc/73/03/28/401730328.db2.gz MNFKNWZDZOBKJX-HZMVEIRTSA-N 1 0 303.402 2.321 40 0 DEABRO CCC(=O)NC(=S)Nc1ccc(N2CC[NH+](CC)CC2)cc1 ZINC000005822700 401731052 /nfs/dbraw/zinc/73/10/52/401731052.db2.gz XTZUZTOPTBVQKJ-UHFFFAOYSA-N 1 0 320.462 2.052 40 0 DEABRO C[NH+](C)CCNC(=O)Nc1c[nH]c2c(Cl)cccc2c1=O ZINC000013565991 401801529 /nfs/dbraw/zinc/80/15/29/401801529.db2.gz SQNGJWBBBITGJZ-UHFFFAOYSA-N 1 0 308.769 2.277 40 0 DEABRO CCc1nccn1C[C@@H](C)C(=O)N[C@H](C)C[NH+]1CCCCCC1 ZINC000019523583 401822180 /nfs/dbraw/zinc/82/21/80/401822180.db2.gz UFQKDAYYYGGMRY-HZPDHXFCSA-N 1 0 320.481 2.462 40 0 DEABRO CC[NH+]1CCN([C@H](C)C(=O)Nc2ccc(F)c(Cl)c2)CC1 ZINC000022585888 401826808 /nfs/dbraw/zinc/82/68/08/401826808.db2.gz GLQDSWPMXLHESX-LLVKDONJSA-N 1 0 313.804 2.444 40 0 DEABRO CC(C)[N@@H+](Cc1ccccc1)C[C@@H]1CCN(C(=O)[C@H](C)[NH3+])C1 ZINC000079415528 401872744 /nfs/dbraw/zinc/87/27/44/401872744.db2.gz RUNLXNSEGOWYKS-DOTOQJQBSA-N 1 0 303.450 2.093 40 0 DEABRO [NH3+]CCN(Cc1ccccc1I)C1CC1 ZINC000079420719 401873111 /nfs/dbraw/zinc/87/31/11/401873111.db2.gz MZVWCPWPZLOIIS-UHFFFAOYSA-N 1 0 316.186 2.214 40 0 DEABRO COc1cccc(C[NH2+]CC(=O)Nc2ccc3c(c2)OCO3)c1 ZINC000035311492 401898537 /nfs/dbraw/zinc/89/85/37/401898537.db2.gz GXGWRBCZUBSQNW-UHFFFAOYSA-N 1 0 314.341 2.152 40 0 DEABRO C[NH+](C)C[C@]12COC[C@H]1CN(Cc1ccc3ccccc3n1)C2 ZINC000096108264 402059569 /nfs/dbraw/zinc/05/95/69/402059569.db2.gz KGSPDGRFVSJISI-APWZRJJASA-N 1 0 311.429 2.245 40 0 DEABRO CN(C)C(=O)COC[C@@]12CCC[C@@H]1C[N@H+](Cc1ccsc1)C2 ZINC000096109161 402059682 /nfs/dbraw/zinc/05/96/82/402059682.db2.gz LGWMZADRTIGGHK-WBVHZDCISA-N 1 0 322.474 2.455 40 0 DEABRO Cc1nc(COC[C@]23COC[C@H]2C[N@H+](CC2CC2)C3)cs1 ZINC000096108919 402059888 /nfs/dbraw/zinc/05/98/88/402059888.db2.gz YAGIRQAYTZSDLB-ZBFHGGJFSA-N 1 0 308.447 2.327 40 0 DEABRO Cn1cnc2c1[C@@H](COCC1CC1)C[N@H+](CC1CCOCC1)C2 ZINC000096044941 402049650 /nfs/dbraw/zinc/04/96/50/402049650.db2.gz HOLSWJJFYVFYJK-MRXNPFEDSA-N 1 0 319.449 2.173 40 0 DEABRO C[N@H+]1Cc2ncn(CC3CC3)c2[C@H](COCC2CCOCC2)C1 ZINC000096045168 402049848 /nfs/dbraw/zinc/04/98/48/402049848.db2.gz HVPRNOWWUJVPDP-INIZCTEOSA-N 1 0 319.449 2.265 40 0 DEABRO Cn1cc(CN2CC[C@@H]3C[N@H+](Cc4ccsc4)C[C@@H]3C2)cn1 ZINC000096054165 402052457 /nfs/dbraw/zinc/05/24/57/402052457.db2.gz XIZXAZKUEWJHDS-SJORKVTESA-N 1 0 316.474 2.436 40 0 DEABRO COc1ccc(C[N@@H+]2CC[C@H]3[C@H]2CCN3c2ncccn2)cc1 ZINC000096055850 402052560 /nfs/dbraw/zinc/05/25/60/402052560.db2.gz SNFRZFVRRSOOCB-SJORKVTESA-N 1 0 310.401 2.338 40 0 DEABRO O=C1C[C@H](c2cccnc2)C2(CC[NH+](Cc3ccccn3)CC2)N1 ZINC000096061457 402054690 /nfs/dbraw/zinc/05/46/90/402054690.db2.gz IGDNCPNQPSFHGB-QGZVFWFLSA-N 1 0 322.412 2.115 40 0 DEABRO O=C1NC2(C[C@@H]1c1ccncc1)CC[NH+](Cc1ccncc1)CC2 ZINC000096061408 402055106 /nfs/dbraw/zinc/05/51/06/402055106.db2.gz QCBANZZMCDXXRH-QGZVFWFLSA-N 1 0 322.412 2.115 40 0 DEABRO c1coc(C[N@@H+]2CC[C@]3(C[C@@H](Oc4cccnc4)CO3)C2)c1 ZINC000096072514 402056278 /nfs/dbraw/zinc/05/62/78/402056278.db2.gz VSYXXFLLTPCOHH-SJORKVTESA-N 1 0 300.358 2.487 40 0 DEABRO C1CC1c1nnc([C@H]2C[C@@H]3CC[N@@H+](C4CCOCC4)C[C@H]3O2)o1 ZINC000096070608 402056490 /nfs/dbraw/zinc/05/64/90/402056490.db2.gz RWURHEYDIIMMSX-NWANDNLSSA-N 1 0 319.405 2.278 40 0 DEABRO O=C(c1ccncc1)N1CC2(C1)CC[N@H+](Cc1ccsc1)C2 ZINC000096202768 402069058 /nfs/dbraw/zinc/06/90/58/402069058.db2.gz CWNCCIFCAPRDOF-UHFFFAOYSA-N 1 0 313.426 2.491 40 0 DEABRO CCOC[C@@H]1CCC2(CCN(c3ncc(F)cn3)CC2)[N@@H+]1C ZINC000096207130 402069833 /nfs/dbraw/zinc/06/98/33/402069833.db2.gz XULDVWCFZIINSW-AWEZNQCLSA-N 1 0 308.401 2.085 40 0 DEABRO CCOC[C@@H]1CCC2(CCN(c3nnc(C)s3)CC2)[N@@H+]1C ZINC000096215457 402070340 /nfs/dbraw/zinc/07/03/40/402070340.db2.gz GCBSVCLALQIKFK-ZDUSSCGKSA-N 1 0 310.467 2.316 40 0 DEABRO Cc1n[nH]c(C[C@H]2OC[C@H]3C[N@H+](Cc4ccsc4)CC[C@H]32)n1 ZINC000096216799 402070801 /nfs/dbraw/zinc/07/08/01/402070801.db2.gz KASSJAJFEYEKFY-RBSFLKMASA-N 1 0 318.446 2.254 40 0 DEABRO c1csc(N[C@H]2CO[C@@]3(C2)CCC[N@@H+](C2CCOCC2)C3)n1 ZINC000096223361 402071751 /nfs/dbraw/zinc/07/17/51/402071751.db2.gz AIZWZCWIFNPLHE-CZUORRHYSA-N 1 0 323.462 2.358 40 0 DEABRO CC[N@@H+]1CCOC[C@]2(CCCN(C(=O)c3cccs3)C2)C1 ZINC000096228880 402072398 /nfs/dbraw/zinc/07/23/98/402072398.db2.gz WOHAEXZFLLQRCD-MRXNPFEDSA-N 1 0 308.447 2.323 40 0 DEABRO CC(C)[N@@H+]1CCOC[C@]2(CCCN(C(=O)c3ccco3)C2)C1 ZINC000096228748 402072758 /nfs/dbraw/zinc/07/27/58/402072758.db2.gz IUIWQSZPZSQJEW-QGZVFWFLSA-N 1 0 306.406 2.243 40 0 DEABRO Cc1ccc(N2C[C@]3(CC[N@@H+](Cc4cncn4C)C3)CC2=O)cc1 ZINC000096238484 402073039 /nfs/dbraw/zinc/07/30/39/402073039.db2.gz RHHJFAPJMTZUAV-LJQANCHMSA-N 1 0 324.428 2.358 40 0 DEABRO c1nc(NCC2CC2)nc2c1COC[C@@]21CC[N@H+](CC2CC2)C1 ZINC000096244111 402073694 /nfs/dbraw/zinc/07/36/94/402073694.db2.gz ZXCJMFALJJLKSC-SFHVURJKSA-N 1 0 314.433 2.182 40 0 DEABRO FC1(F)CC[N@H+](CC2CC2)C[C@@]12CCN(c1ncccn1)C2 ZINC000096239701 402073916 /nfs/dbraw/zinc/07/39/16/402073916.db2.gz NDHDKBKKUJDLJW-OAHLLOKOSA-N 1 0 308.376 2.424 40 0 DEABRO Cc1nc(CN2C[C@@]3(CC[N@H+](CC4CC4)C3)CC2=O)cs1 ZINC000096239381 402073924 /nfs/dbraw/zinc/07/39/24/402073924.db2.gz VTNSHFVGCJNWIL-INIZCTEOSA-N 1 0 305.447 2.286 40 0 DEABRO Fc1ccc(-c2ncnc3c2CC[N@@H+]([C@H]2CCOC2)CC3)cc1 ZINC000096255295 402075258 /nfs/dbraw/zinc/07/52/58/402075258.db2.gz KJQWEEMJQNCOKH-HNNXBMFYSA-N 1 0 313.376 2.472 40 0 DEABRO CCOC(=O)c1cnc2c(CC)cccc2c1N1CC[NH2+]CC1 ZINC000064874814 402121931 /nfs/dbraw/zinc/12/19/31/402121931.db2.gz KCBSWYKENNSKPU-UHFFFAOYSA-N 1 0 313.401 2.384 40 0 DEABRO O=C(N[C@H]1C[N@H+](Cc2cccs2)[C@@H]2CCCO[C@@H]21)C1CC1 ZINC000096186862 402065896 /nfs/dbraw/zinc/06/58/96/402065896.db2.gz CKHCPZPXJBMFOW-RRFJBIMHSA-N 1 0 306.431 2.006 40 0 DEABRO CCN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2Cc1ccc2c(c1)OCO2 ZINC000096186202 402065924 /nfs/dbraw/zinc/06/59/24/402065924.db2.gz ZROIRHDHKSDEOW-ZIAGYGMSSA-N 1 0 302.374 2.001 40 0 DEABRO O=C1NC2(C[C@@H]1c1cccnc1)CC[NH+](Cc1ccco1)CC2 ZINC000096199454 402068010 /nfs/dbraw/zinc/06/80/10/402068010.db2.gz GRSGYHWWNPANLN-MRXNPFEDSA-N 1 0 311.385 2.313 40 0 DEABRO COCC[N@@H+]1CCC[C@@]12CCCN(C(=O)c1ccccc1)C2 ZINC000096203230 402068843 /nfs/dbraw/zinc/06/88/43/402068843.db2.gz HYAMIRLZIAWKOM-GOSISDBHSA-N 1 0 302.418 2.404 40 0 DEABRO COc1ccc(N2C(=O)C[C@H]([NH2+]CC3CCCCC3)C2=O)cc1 ZINC000100619712 402141676 /nfs/dbraw/zinc/14/16/76/402141676.db2.gz ITBAQFJMLZWCFN-INIZCTEOSA-N 1 0 316.401 2.497 40 0 DEABRO OCC[NH+](CCO)CCc1ccc(COc2ccccc2)cc1 ZINC000068606132 402202802 /nfs/dbraw/zinc/20/28/02/402202802.db2.gz MKJULGUFZRFLFY-UHFFFAOYSA-N 1 0 315.413 2.095 40 0 DEABRO Cc1cccc(CN2CC[N@@H+]3C[C@H](Oc4cccnc4)C[C@H]3C2)n1 ZINC000107197804 402227319 /nfs/dbraw/zinc/22/73/19/402227319.db2.gz ADRKAIAEQXYDQU-PKOBYXMFSA-N 1 0 324.428 2.123 40 0 DEABRO c1ccc(O[C@H]2C[N@@H+](Cc3cccnc3)[C@@H]3CCCO[C@@H]32)nc1 ZINC000107207652 402227766 /nfs/dbraw/zinc/22/77/66/402227766.db2.gz ULBCMDKZBUXKQR-RYRKJORJSA-N 1 0 311.385 2.287 40 0 DEABRO O=C1CC[C@]2(CCC[N@H+](C[C@H]3CCOC3)CC2)N1CC1CC1 ZINC000107225366 402227882 /nfs/dbraw/zinc/22/78/82/402227882.db2.gz DTDWLASIRPVACL-AEFFLSMTSA-N 1 0 306.450 2.280 40 0 DEABRO Cc1ccc(C(=O)N2CCC3(CC2)C[C@H]([NH+](C)C)CCO3)cn1 ZINC000108531589 402256268 /nfs/dbraw/zinc/25/62/68/402256268.db2.gz LVWNSEGSHSBUJQ-MRXNPFEDSA-N 1 0 317.433 2.105 40 0 DEABRO CC(C)[N@H+]1Cc2cccn2C[C@H](C(=O)NCc2cccnc2)C1 ZINC000247963213 402579187 /nfs/dbraw/zinc/57/91/87/402579187.db2.gz AKRUPZASCPEEJA-INIZCTEOSA-N 1 0 312.417 2.040 40 0 DEABRO CC(C)[N@@H+]1CC[C@@]2(c3ccccc3)CCN(S(C)(=O)=O)[C@H]2C1 ZINC000248148671 402583372 /nfs/dbraw/zinc/58/33/72/402583372.db2.gz FVRRYZJZLFNMDK-IRXDYDNUSA-N 1 0 322.474 2.072 40 0 DEABRO [NH3+]Cc1cn(-c2ccccc2C(=O)NCc2cccs2)cn1 ZINC000257227094 402705326 /nfs/dbraw/zinc/70/53/26/402705326.db2.gz FNPAVHCQLMNYHS-UHFFFAOYSA-N 1 0 312.398 2.323 40 0 DEABRO Cc1cc(C)n(CC(=O)N2CCC[C@]3(C)[NH2+]CCCC[C@H]23)n1 ZINC000257241890 402707724 /nfs/dbraw/zinc/70/77/24/402707724.db2.gz IACBVIDJQCVMDQ-RDJZCZTQSA-N 1 0 304.438 2.023 40 0 DEABRO CNC(=O)C[N@@H+]1CCC[C@H](Cc2ccnc3ccncc23)CC1 ZINC000257247083 402708285 /nfs/dbraw/zinc/70/82/85/402708285.db2.gz IXIZMDYGLOTTFV-AWEZNQCLSA-N 1 0 312.417 2.020 40 0 DEABRO O=C(Cn1ccnc1)N1CCC[C@@H]2[C@H]1CCCC[N@@H+]2CC1CC1 ZINC000257278471 402711623 /nfs/dbraw/zinc/71/16/23/402711623.db2.gz OCKIBBVBITXEMO-IAGOWNOFSA-N 1 0 316.449 2.139 40 0 DEABRO CCCc1nnsc1C(=O)N1CC[NH2+]C[C@H]1c1ccccc1 ZINC000257203290 402702500 /nfs/dbraw/zinc/70/25/00/402702500.db2.gz APKHSUSJSNVSAT-AWEZNQCLSA-N 1 0 316.430 2.277 40 0 DEABRO CC(C)n1nccc1C[N@@H+]1CC[C@@H]2[C@H](C1)CCCC(=O)N2C ZINC000257203424 402702574 /nfs/dbraw/zinc/70/25/74/402702574.db2.gz APZJNMKGGQBIPX-GOEBONIOSA-N 1 0 304.438 2.297 40 0 DEABRO CN1Cc2ccccc2[C@H](NC(=O)NCC2(O)CCCCC2)C1 ZINC000378278189 404915631 /nfs/dbraw/zinc/91/56/31/404915631.db2.gz UTJVCLXUMVDLLK-MRXNPFEDSA-N 1 0 317.433 2.168 40 0 DEABRO C[NH+]1CCC(Nc2nc(Cl)ncc2Br)CC1 ZINC000039957229 273870700 /nfs/dbraw/zinc/87/07/00/273870700.db2.gz RQWMPGNXZKTTBL-UHFFFAOYSA-N 1 0 305.607 2.399 40 0 DEABRO Cc1ccc2nc3n(c2c1)[C@@H](C[NH2+]C1CCOCC1)COC3 ZINC000096112831 274785388 /nfs/dbraw/zinc/78/53/88/274785388.db2.gz OFDRLDRYYMBODJ-AWEZNQCLSA-N 1 0 301.390 2.185 40 0 biogenic,in-vitro DEABRO O=C1c2cccn2[C@@H]2C[N@@H+](CC3CC3)C[C@H]2N1Cc1ccccn1 ZINC000306144904 275031381 /nfs/dbraw/zinc/03/13/81/275031381.db2.gz ZRXGLSYBIKUZQH-QZTJIDSGSA-N 1 0 322.412 2.174 40 0 DEABRO CC(C)N(C(=O)C[NH3+])[C@@H]1CCCC[C@H]1NC(=O)OC(C)(C)C ZINC000079391131 279274531 /nfs/dbraw/zinc/27/45/31/279274531.db2.gz XCNCNHFCRIYMRE-CHWSQXEVSA-N 1 0 313.442 2.018 40 0 DEABRO Cn1cc([C@H]2CC(=O)NC23CC[NH+](Cc2ccccc2)CC3)cn1 ZINC000096199772 279349075 /nfs/dbraw/zinc/34/90/75/279349075.db2.gz ONZOKTAUUFLRBZ-QGZVFWFLSA-N 1 0 324.428 2.058 40 0 DEABRO CC[C@@H](c1nnnn1C(C)(C)C)N1CC[NH+](C2CCCC2)CC1 ZINC000019500570 280221071 /nfs/dbraw/zinc/22/10/71/280221071.db2.gz GMLUXTKWFLFVSC-HNNXBMFYSA-N 1 0 320.485 2.439 40 0 DEABRO CC(C)[C@H]([NH3+])C(=O)N(C[C@H]1COc2ccccc2O1)C(C)C ZINC000079418822 280271715 /nfs/dbraw/zinc/27/17/15/280271715.db2.gz JJJFXNXUCQSIRQ-BBRMVZONSA-N 1 0 306.406 2.047 40 0 DEABRO Cc1ccsc1C[N@@H+]1C[C@H]2OC[C@@H](CN3CCCC3=O)[C@H]2C1 ZINC000306140938 534471667 /nfs/dbraw/zinc/47/16/67/534471667.db2.gz VHHTZTVGWSEESK-RBSFLKMASA-N 1 0 320.458 2.126 40 0 DEABRO CN(C[C@@H]1CCCC[N@@H+]1CCO)C(=O)OCc1ccccc1 ZINC000079410970 185169944 /nfs/dbraw/zinc/16/99/44/185169944.db2.gz PCLLJSXFTFBYRJ-INIZCTEOSA-N 1 0 306.406 2.102 40 0 DEABRO CN([C@@H]1CCC[NH2+]C1)S(=O)(=O)c1ccc(Cl)cc1Cl ZINC000079440498 185171872 /nfs/dbraw/zinc/17/18/72/185171872.db2.gz WWJKPNOZHODGLN-SNVBAGLBSA-N 1 0 323.245 2.366 40 0 DEABRO Cc1nn(C)c(C)c1C[N@@H+]1CCCC[C@]2(C)NC(=O)CC[C@H]12 ZINC000257343246 282259633 /nfs/dbraw/zinc/25/96/33/282259633.db2.gz ZSCHUAMOWFOSBQ-RDJZCZTQSA-N 1 0 304.438 2.060 40 0 DEABRO C[NH+](C)CCCNS(=O)(=O)c1ccc2c3c(cccc31)CC2 ZINC000226861100 201789515 /nfs/dbraw/zinc/78/95/15/201789515.db2.gz XZURHUFKHNTNJP-UHFFFAOYSA-N 1 0 318.442 2.168 40 0 DEABRO Cc1cc(=O)oc2cc(NC(=O)[C@H]([NH3+])COC(C)(C)C)ccc12 ZINC000136173709 539517309 /nfs/dbraw/zinc/51/73/09/539517309.db2.gz UKLAVLVZOVOZEF-CYBMUJFWSA-N 1 0 318.373 2.182 40 0 DEABRO O=C(CCc1cccc(C2CC[NH2+]CC2)n1)NCc1ccccn1 ZINC000072366967 191136810 /nfs/dbraw/zinc/13/68/10/191136810.db2.gz WOFCFEOTHZUVHF-UHFFFAOYSA-N 1 0 324.428 2.193 40 0 DEABRO COc1ccc(CN2CCc3nc([C@H]4CCC[NH2+]4)ncc3C2)cc1 ZINC000072390797 191147983 /nfs/dbraw/zinc/14/79/83/191147983.db2.gz QOIUNUGGCSTIRN-GOSISDBHSA-N 1 0 324.428 2.468 40 0 DEABRO COC(=O)c1cc(NC(=O)[C@H]2CCC[N@H+](C)C2)ccc1Cl ZINC000073692199 191341834 /nfs/dbraw/zinc/34/18/34/191341834.db2.gz DPZNNRLIBSGZJQ-JTQLQIEISA-N 1 0 310.781 2.407 40 0 DEABRO CCC[NH2+]C[C@@H](O)COc1ccc2c3c(c(=O)oc2c1)CCC3 ZINC000005785118 181283543 /nfs/dbraw/zinc/28/35/43/181283543.db2.gz MDRIKKUAZCPOBY-GFCCVEGCSA-N 1 0 317.385 2.021 40 0 DEABRO CCCC[N@@H+]1CCC[C@]2(CC(C(=O)NCC(F)(F)F)=NO2)C1 ZINC000585101146 357332731 /nfs/dbraw/zinc/33/27/31/357332731.db2.gz IUAYWYNMZQBZNB-ZDUSSCGKSA-N 1 0 321.343 2.076 40 0 DEABRO O=C1CC[C@@]2(CCC[N@H+](CC3CC3)CC2)N1C[C@H]1CCCO1 ZINC000585099891 357333193 /nfs/dbraw/zinc/33/31/93/357333193.db2.gz URGDEMQLYCJNFD-SJLPKXTDSA-N 1 0 306.450 2.423 40 0 DEABRO Cc1noc(C)c1CN1C[C@]2(CCC[N@@H+](CC(C)C)C2)C1=O ZINC000585099469 357333261 /nfs/dbraw/zinc/33/32/61/357333261.db2.gz LWTPBLGJBVEEJU-QGZVFWFLSA-N 1 0 305.422 2.372 40 0 DEABRO C[N@@H+]1CC[C@H](COc2ccccn2)CC12CN(C1CCC1)C2 ZINC000585102874 357334535 /nfs/dbraw/zinc/33/45/35/357334535.db2.gz LPIMTDBGPKTLHB-HNNXBMFYSA-N 1 0 301.434 2.409 40 0 DEABRO Cc1cccc(O[C@@H]2CCC[C@H]([NH2+]CCN3CCCC3)[C@H]2O)c1 ZINC000585288886 357345036 /nfs/dbraw/zinc/34/50/36/357345036.db2.gz KWZSXAZWRUGTMJ-IPMKNSEASA-N 1 0 318.461 2.341 40 0 DEABRO CSCC[C@@H]([NH3+])C(=O)Nc1ccc2c(C)cc(=O)oc2c1 ZINC000006825401 181395621 /nfs/dbraw/zinc/39/56/21/181395621.db2.gz FHLNBHBQGFIHKH-GFCCVEGCSA-N 1 0 306.387 2.120 40 0 DEABRO O=C(c1cnccn1)N1CCCC[C@@H]2[NH2+]C[C@@H](c3ccccc3)[C@@H]21 ZINC000257256943 202990087 /nfs/dbraw/zinc/99/00/87/202990087.db2.gz KNMABQXVUQPTSS-BQFCYCMXSA-N 1 0 322.412 2.227 40 0 DEABRO CCCn1cc(C[N@@H+]2CCCC[C@]3(C)NC(=O)CC[C@H]23)cn1 ZINC000257283960 203011632 /nfs/dbraw/zinc/01/16/32/203011632.db2.gz PAQPUYVPNDUXPM-RDJZCZTQSA-N 1 0 304.438 2.316 40 0 DEABRO Nc1cc(CC[C@H]2CN(C(=O)c3ccsc3)CCO2)cc[nH+]1 ZINC000257334899 203056192 /nfs/dbraw/zinc/05/61/92/203056192.db2.gz YHUZTXYDNXQVEF-AWEZNQCLSA-N 1 0 317.414 2.199 40 0 DEABRO Cn1cncc1C[N@@H+]1CCOC[C@@H](Cc2cccc(F)c2)C1 ZINC000257344060 203067305 /nfs/dbraw/zinc/06/73/05/203067305.db2.gz ZVPXUSYOOGNRSL-HNNXBMFYSA-N 1 0 303.381 2.250 40 0 DEABRO NS(=O)(=O)c1ccc(CC[NH2+]Cc2ccc(Cl)cc2)cc1 ZINC000016401419 182043821 /nfs/dbraw/zinc/04/38/21/182043821.db2.gz OEVYSRGAVMIHLR-UHFFFAOYSA-N 1 0 324.833 2.320 40 0 DEABRO CC[C@@H](C)NC(=O)Cn1c([C@H]2CCC[NH2+]C2)cc2cccnc21 ZINC000019499977 182125594 /nfs/dbraw/zinc/12/55/94/182125594.db2.gz GQZZUIPODBVWTQ-HIFRSBDPSA-N 1 0 314.433 2.418 40 0 DEABRO COc1ccc(CN2CCc3nc([C@@H]4CC[NH2+]C4)ncc3C2)cc1 ZINC000019555589 182130484 /nfs/dbraw/zinc/13/04/84/182130484.db2.gz BFDZZADJEUFZKY-OAHLLOKOSA-N 1 0 324.428 2.120 40 0 DEABRO Cc1nc2cc(C(=O)N(C)CC[NH+]3CCCCC3)ccc2n1C ZINC000019656356 182134032 /nfs/dbraw/zinc/13/40/32/182134032.db2.gz XDAPPHXDPQADDS-UHFFFAOYSA-N 1 0 314.433 2.440 40 0 DEABRO Cc1nccn1CCC(=O)N1CCC([C@@H]2CCCC[N@H+]2C)CC1 ZINC000019746559 182142129 /nfs/dbraw/zinc/14/21/29/182142129.db2.gz OZUOXNDRZQLKCY-KRWDZBQOSA-N 1 0 318.465 2.305 40 0 DEABRO CC[C@@H](C)[NH+]1CCN(C(=O)COc2ccc(OC)cc2)CC1 ZINC000020084398 182186076 /nfs/dbraw/zinc/18/60/76/182186076.db2.gz DFJHEBFOQLHCKO-CQSZACIVSA-N 1 0 306.406 2.017 40 0 DEABRO C[C@H]1CCC[N@H+](Cc2ccc(C(=O)N3CCOCC3)cc2)C1 ZINC000020458672 182220137 /nfs/dbraw/zinc/22/01/37/182220137.db2.gz XYWQHNIJFDSURP-HNNXBMFYSA-N 1 0 302.418 2.391 40 0 DEABRO CN1CCN(C(=O)OCc2ccccc2)C[C@@H]1C[NH+]1CCCC1 ZINC000021982834 182301610 /nfs/dbraw/zinc/30/16/10/182301610.db2.gz CJZXOTZBKJCQRM-KRWDZBQOSA-N 1 0 317.433 2.035 40 0 DEABRO C[NH+](C)CC(=O)N1CCc2nc(-c3ccccc3F)sc2C1 ZINC000036752128 182840849 /nfs/dbraw/zinc/84/08/49/182840849.db2.gz MWFRPGQKIDFEDT-UHFFFAOYSA-N 1 0 319.405 2.396 40 0 DEABRO CN1C(=O)c2ccccc2O[C@H]2C[N@@H+](CC3CCCC3)C[C@H]21 ZINC000514290116 257215279 /nfs/dbraw/zinc/21/52/79/257215279.db2.gz SDQVFBVKYUPCQE-WBVHZDCISA-N 1 0 300.402 2.394 40 0 biogenic,in-vitro DEABRO CC[NH+](CC)CCCNC(=O)c1nn(C2CCCC2)cc1N ZINC000685936350 542767768 /nfs/dbraw/zinc/76/77/68/542767768.db2.gz RYMSOQBVGVJJKO-UHFFFAOYSA-N 1 0 307.442 2.042 40 0 DEABRO C[C@@H]1CCC[N@H+](CC(=O)Nc2ccccc2N2CCOCC2)C1 ZINC000003564834 401724851 /nfs/dbraw/zinc/72/48/51/401724851.db2.gz YONHRQBVDKXPQW-OAHLLOKOSA-N 1 0 317.433 2.194 40 0 DEABRO CC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)Nc1cccc(Cl)c1C ZINC000006953138 401734481 /nfs/dbraw/zinc/73/44/81/401734481.db2.gz GESQDCNOPKKQJN-GFCCVEGCSA-N 1 0 323.824 2.187 40 0 DEABRO COc1ccc2nc(NC(CN(C)C)C[NH+](C)C)ccc2c1 ZINC000001596766 401709088 /nfs/dbraw/zinc/70/90/88/401709088.db2.gz WHDHZNZIZJZPMF-UHFFFAOYSA-N 1 0 302.422 2.147 40 0 DEABRO OCC[N@@H+]1CCC[C@H](c2nccnc2-c2ccc(F)cc2)C1 ZINC000072343738 401709204 /nfs/dbraw/zinc/70/92/04/401709204.db2.gz FJFHBKGXFIOJLX-AWEZNQCLSA-N 1 0 301.365 2.454 40 0 DEABRO COc1cccc(NC(=S)NC[C@@H]2CCC[N@H+](C)C2)c1OC ZINC000009876564 401766092 /nfs/dbraw/zinc/76/60/92/401766092.db2.gz YEFZHVOUGJSOPY-LBPRGKRZSA-N 1 0 323.462 2.332 40 0 DEABRO O=C(c1ncoc1-c1ccc(F)cc1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000012145536 401780614 /nfs/dbraw/zinc/78/06/14/401780614.db2.gz ACJLNOVQJDBYAL-CQSZACIVSA-N 1 0 315.348 2.401 40 0 DEABRO CC(=O)Nc1ccc(OC[C@H](O)C[N@H+]2CCCC[C@H]2C)cc1 ZINC000012378078 401784684 /nfs/dbraw/zinc/78/46/84/401784684.db2.gz CDVQOWBNNPSLBF-CZUORRHYSA-N 1 0 306.406 2.259 40 0 DEABRO CC(C)[N@@H+](Cc1ccccc1)C[C@@H]1CCCN1C(=O)[C@H](C)[NH3+] ZINC000079415523 401872920 /nfs/dbraw/zinc/87/29/20/401872920.db2.gz KDZYPFLVLBSRMC-RDJZCZTQSA-N 1 0 303.450 2.235 40 0 DEABRO O=C(Nc1nnc(SCC[NH+]2CCCCC2)s1)C1CC1 ZINC000035316081 401899147 /nfs/dbraw/zinc/89/91/47/401899147.db2.gz UEVFHAHWHOZAPO-UHFFFAOYSA-N 1 0 312.464 2.465 40 0 DEABRO Cn1cncc1-c1nnc([C@H]2CC[N@H+](Cc3ccccc3)C2)o1 ZINC000049170438 402013604 /nfs/dbraw/zinc/01/36/04/402013604.db2.gz CHZJMLLIDDWWRU-AWEZNQCLSA-N 1 0 309.373 2.460 40 0 biogenic,in-vitro DEABRO C(OC[C@@]12CCO[C@@H]1CC[N@@H+](C1CCC1)C2)C1CCOCC1 ZINC000096110364 402060460 /nfs/dbraw/zinc/06/04/60/402060460.db2.gz JLCQNIWJFOFPDT-MSOLQXFVSA-N 1 0 309.450 2.463 40 0 DEABRO COCCC(=O)N1CC[C@@]2(CC[N@H+](Cc3cccc(F)c3)C2)C1 ZINC000096046504 402050088 /nfs/dbraw/zinc/05/00/88/402050088.db2.gz GFRWLQZWFKRBOI-GOSISDBHSA-N 1 0 320.408 2.287 40 0 DEABRO c1cncc(COC[C@@H]2CC[C@@H]3[C@@H]2OCC[N@@H+]3CC2CC2)c1 ZINC000096055314 402052429 /nfs/dbraw/zinc/05/24/29/402052429.db2.gz NWFXXZXNVXZXAQ-RCCFBDPRSA-N 1 0 302.418 2.488 40 0 DEABRO c1coc(CN2CC[N@@H+]3C[C@@H](OCc4cccnc4)C[C@H]3C2)c1 ZINC000096055022 402052508 /nfs/dbraw/zinc/05/25/08/402052508.db2.gz ADWRFSHBGVCHRA-WMZOPIPTSA-N 1 0 313.401 2.150 40 0 DEABRO c1cncc(COC[C@@H]2CC[C@H]3[C@@H]2OCC[N@@H+]3CC2CC2)c1 ZINC000096055316 402052761 /nfs/dbraw/zinc/05/27/61/402052761.db2.gz NWFXXZXNVXZXAQ-OKZBNKHCSA-N 1 0 302.418 2.488 40 0 DEABRO c1cc(CN2CCO[C@H]3[C@H](OCC[NH+]4CCCC4)CC[C@@H]32)co1 ZINC000096057921 402053530 /nfs/dbraw/zinc/05/35/30/402053530.db2.gz XWRCJFTVSNUEPF-RCCFBDPRSA-N 1 0 320.433 2.124 40 0 DEABRO CC(C)COC[C@@H]1CN(CC[NH+]2CCCC2)Cc2ncn(C)c21 ZINC000096068633 402056265 /nfs/dbraw/zinc/05/62/65/402056265.db2.gz XUYOIFBULZRDLY-INIZCTEOSA-N 1 0 320.481 2.088 40 0 DEABRO c1csc(C[N@@H+]2CC[C@]3(C[C@H](Nc4cnccn4)CO3)C2)c1 ZINC000096072748 402056377 /nfs/dbraw/zinc/05/63/77/402056377.db2.gz HGXPZIRZDGMRHM-BBRMVZONSA-N 1 0 316.430 2.384 40 0 DEABRO CC(C)C[N@H+]1C[C@H]2CN(C(=O)CCc3cccnc3)C[C@H]2C1 ZINC000096080991 402056918 /nfs/dbraw/zinc/05/69/18/402056918.db2.gz FORIBAIIFMTLPR-CALCHBBNSA-N 1 0 301.434 2.060 40 0 DEABRO CCOC[C@H]1CCC2(CCN(C(=O)c3ccncc3)CC2)[N@@H+]1C ZINC000096217435 402071003 /nfs/dbraw/zinc/07/10/03/402071003.db2.gz OBEAOZIUDXOAPC-MRXNPFEDSA-N 1 0 317.433 2.187 40 0 DEABRO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(Cc1nccs1)C2 ZINC000096219370 402071331 /nfs/dbraw/zinc/07/13/31/402071331.db2.gz GBLSBLSUQFFEOE-WBVHZDCISA-N 1 0 321.490 2.323 40 0 DEABRO CCc1ccc(C(=O)N2CC[C@]3(C2)C[N@H+](C)C[C@@H]3COC)cc1 ZINC000096219845 402071567 /nfs/dbraw/zinc/07/15/67/402071567.db2.gz 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CC(C)[N@H+](C)C[C@H]1CO[C@@]2(C1)COCCN(Cc1ccco1)C2 ZINC000107738629 402239841 /nfs/dbraw/zinc/23/98/41/402239841.db2.gz OPFLPMXLWRRBAW-FUHWJXTLSA-N 1 0 322.449 2.227 40 0 DEABRO CC(C)[N@H+](C)C[C@@H]1CO[C@@]2(C1)COCCN(Cc1ccoc1)C2 ZINC000107795325 402240919 /nfs/dbraw/zinc/24/09/19/402240919.db2.gz LHKOVAGIXXAADK-QZTJIDSGSA-N 1 0 322.449 2.227 40 0 DEABRO Cn1cncc1C[N@@H+]1CC[C@]2(CCC[C@H]2C(=O)N2CCCC2)C1 ZINC000108530566 402256270 /nfs/dbraw/zinc/25/62/70/402256270.db2.gz USZPFIYGXKAXFQ-FUHWJXTLSA-N 1 0 316.449 2.035 40 0 DEABRO COc1cc(OC)cc(C(=O)N2CCC[C@H]3[NH2+]CCCC[C@@H]32)c1 ZINC000257210036 402703954 /nfs/dbraw/zinc/70/39/54/402703954.db2.gz BSVUCXRWYPROHT-SJORKVTESA-N 1 0 318.417 2.451 40 0 DEABRO CCc1nccn1CCC(=O)N1CC[NH2+]C[C@@H]1c1ccccc1 ZINC000257224732 402705619 /nfs/dbraw/zinc/70/56/19/402705619.db2.gz FDBQGAHRIXPNPJ-MRXNPFEDSA-N 1 0 312.417 2.009 40 0 DEABRO COCC[N@@H+]1CCC[C@@H](c2cncc(-c3nc(C)c[nH]3)n2)C1 ZINC000257231330 402706467 /nfs/dbraw/zinc/70/64/67/402706467.db2.gz 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Cc1c2c(nn1C)nc(N1CCC([NH3+])CC1)cc2C(F)(F)F ZINC000012398917 280260526 /nfs/dbraw/zinc/26/05/26/280260526.db2.gz AHSUJWXWACONJO-UHFFFAOYSA-N 1 0 313.327 2.223 40 0 DEABRO CNc1cc(CC2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)ncn1 ZINC000257291984 331958909 /nfs/dbraw/zinc/95/89/09/331958909.db2.gz QJMLAIOOVJRSBI-JKSUJKDBSA-N 1 0 304.438 2.076 40 0 DEABRO CC[N@@H+]1CC[C@@]2(c3ccccc3)CCN(C(=O)N(C)C)C[C@@H]12 ZINC000306129725 527811581 /nfs/dbraw/zinc/81/15/81/527811581.db2.gz ILBFFHGIWYITEZ-AEFFLSMTSA-N 1 0 301.434 2.406 40 0 DEABRO CC(C)N(C[C@H]1CC[N@H+](CCO)C1)C(=O)OCc1ccccc1 ZINC000079411137 185170061 /nfs/dbraw/zinc/17/00/61/185170061.db2.gz DYPVAJXRYQKNMC-KRWDZBQOSA-N 1 0 320.433 2.348 40 0 DEABRO CCN(CC1CC[NH+](CCO)CC1)C(=O)OCc1ccccc1 ZINC000079411075 185170156 /nfs/dbraw/zinc/17/01/56/185170156.db2.gz OPGILNBMAGIJKZ-UHFFFAOYSA-N 1 0 320.433 2.349 40 0 DEABRO CN(CC[NH3+])[C@H]1CCCC[C@@H]1NC(=O)OCc1ccccc1 ZINC000079391767 185168410 /nfs/dbraw/zinc/16/84/10/185168410.db2.gz 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ZINC000585275377 357342687 /nfs/dbraw/zinc/34/26/87/357342687.db2.gz AXYXHOLCSDZJKD-GOSISDBHSA-N 1 0 315.417 2.351 40 0 DEABRO O[C@@]1(COc2ccc(Cl)cc2)COCC[N@@H+](C2CCC2)C1 ZINC000585280867 357343701 /nfs/dbraw/zinc/34/37/01/357343701.db2.gz AZHYYWZVOFPJIA-MRXNPFEDSA-N 1 0 311.809 2.335 40 0 DEABRO CCC(CC)[N@@H+]1CC[C@H](O)[C@@](O)(COc2ccc(F)cc2)C1 ZINC000585282686 357344718 /nfs/dbraw/zinc/34/47/18/357344718.db2.gz MRWWGQHCAUUGNC-IRXDYDNUSA-N 1 0 311.397 2.191 40 0 DEABRO Cc1ccc(C(=O)N(C)[C@@H]2CC[C@@H]([NH+]3CCCC3)[C@@H]2O)s1 ZINC000257244534 202977072 /nfs/dbraw/zinc/97/70/72/202977072.db2.gz ILUBCIGALCFVQJ-UMVBOHGHSA-N 1 0 308.447 2.116 40 0 DEABRO CN(C(=O)c1ccccc1)[C@@H]1CCC[C@@H]([NH+]2CCCC2)[C@@H]1O ZINC000257330193 203052833 /nfs/dbraw/zinc/05/28/33/203052833.db2.gz XNGWLIGTHRGUCQ-BRWVUGGUSA-N 1 0 302.418 2.136 40 0 DEABRO Cc1nc2c(c(=O)[nH]1)C[C@@H]1CC[C@H](C2)[N@@H+]1Cc1cccs1 ZINC000019286377 182112400 /nfs/dbraw/zinc/11/24/00/182112400.db2.gz TYXOECIHPVJNOM-NWDGAFQWSA-N 1 0 301.415 2.272 40 0 DEABRO CC(=O)N[C@H](c1ccccn1)C1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000019020436 182104147 /nfs/dbraw/zinc/10/41/47/182104147.db2.gz NGQNHBIFCGPSPW-QAPCUYQASA-N 1 0 317.433 2.007 40 0 DEABRO Cc1ccc(C2(O)CC[NH+](CCNC(=O)[C@@H]3C[C@@H]3C)CC2)cc1 ZINC000019208577 182107215 /nfs/dbraw/zinc/10/72/15/182107215.db2.gz XHIRYQMXWMLIFV-DOTOQJQBSA-N 1 0 316.445 2.051 40 0 DEABRO CCn1nc(C(C)C)cc1C(=O)NCC[NH+]1CCC(C)CC1 ZINC000019524128 182128267 /nfs/dbraw/zinc/12/82/67/182128267.db2.gz AHJVZCKOINBFFM-UHFFFAOYSA-N 1 0 306.454 2.488 40 0 DEABRO C[N@@H+]1CCc2nc([C@@H]3CCCN3C(=O)c3ccccc3)ncc2C1 ZINC000019590558 182132085 /nfs/dbraw/zinc/13/20/85/182132085.db2.gz LTHALAYGZXLVBN-KRWDZBQOSA-N 1 0 322.412 2.442 40 0 DEABRO C[NH+](C)CC(=O)N1CCC(c2nc3ccccc3cc2N)CC1 ZINC000019581747 182132134 /nfs/dbraw/zinc/13/21/34/182132134.db2.gz VGUGUPZLXSFDTI-UHFFFAOYSA-N 1 0 312.417 2.085 40 0 DEABRO C[N@@H+]1CCC[C@@H](c2ncc3c(n2)CCN(Cc2cccnc2)C3)C1 ZINC000019588690 182132555 /nfs/dbraw/zinc/13/25/55/182132555.db2.gz KZJJUCAWRKVMCO-MRXNPFEDSA-N 1 0 323.444 2.239 40 0 DEABRO CCCc1ncc(C[N@@H+]2CCCC[C@@H]2CCNC(C)=O)cn1 ZINC000019745844 182141817 /nfs/dbraw/zinc/14/18/17/182141817.db2.gz KZWTXKSFQSYVBV-MRXNPFEDSA-N 1 0 304.438 2.310 40 0 DEABRO Cc1c(C[N@@H+]2CCC[C@@](C)(C(=O)NC3CCCC3)C2)cnn1C ZINC000019746710 182142190 /nfs/dbraw/zinc/14/21/90/182142190.db2.gz OGCJNGYKRXIVSZ-GOSISDBHSA-N 1 0 318.465 2.389 40 0 DEABRO O=S(=O)(c1ccc(CC2CC[NH2+]CC2)cc1)N1CCCC1 ZINC000020190633 182195327 /nfs/dbraw/zinc/19/53/27/182195327.db2.gz QNKMWFGQRUQUBI-UHFFFAOYSA-N 1 0 308.447 2.013 40 0 DEABRO COc1cccc(O[C@@H](C)C(=O)NCCC[NH+]2CCCCC2)c1 ZINC000044840507 183441600 /nfs/dbraw/zinc/44/16/00/183441600.db2.gz GPZJJKLCSAEDTM-HNNXBMFYSA-N 1 0 320.433 2.455 40 0 DEABRO C[NH+](C)CCNS(=O)(=O)c1ccc(Oc2ccccc2)cc1 ZINC000044840870 183441644 /nfs/dbraw/zinc/44/16/44/183441644.db2.gz PNTQSCMYFQHMQH-UHFFFAOYSA-N 1 0 320.414 2.319 40 0 DEABRO COc1ccc(O[C@H](C)C(=O)NCCC2CC[NH+](C)CC2)cc1 ZINC000156398123 197110029 /nfs/dbraw/zinc/11/00/29/197110029.db2.gz DSYLSCMXZNSEAV-CQSZACIVSA-N 1 0 320.433 2.311 40 0 DEABRO O=C(c1cccnc1-c1nc2ccccc2s1)N1CC[NH2+]CC1 ZINC000072220809 257124111 /nfs/dbraw/zinc/12/41/11/257124111.db2.gz KVGKKRSCBBRTBY-UHFFFAOYSA-N 1 0 324.409 2.404 40 0 DEABRO O=C(C[C@@H](c1ccccc1)C1CC[NH2+]CC1)N1CCOCC1 ZINC000072208360 257127796 /nfs/dbraw/zinc/12/77/96/257127796.db2.gz YXQDIOBFNMTWPW-KRWDZBQOSA-N 1 0 302.418 2.019 40 0 DEABRO CC(C)[C@H](NC(=O)OC(C)(C)C)[C@](O)(C[NH3+])c1ccccc1 ZINC000072207949 257128377 /nfs/dbraw/zinc/12/83/77/257128377.db2.gz ZFTLPBPZBWLJAC-YOEHRIQHSA-N 1 0 308.422 2.382 40 0 DEABRO CCC[N@@H+]1CC[C@@](C)(O)[C@@H](NC(=O)C2CC2)[C@@H]1c1ccccc1 ZINC000514289657 257215391 /nfs/dbraw/zinc/21/53/91/257215391.db2.gz ASCVCTPLFOXQCK-JENIJYKNSA-N 1 0 316.445 2.489 40 0 biogenic,in-vitro DEABRO CN1C(=O)c2ccccc2O[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000514290165 257215445 /nfs/dbraw/zinc/21/54/45/257215445.db2.gz TVRCWWFBFOQCKV-AEFFLSMTSA-N 1 0 308.381 2.404 40 0 biogenic,in-vitro DEABRO COc1ccc2cc(C[N@@H+]3CC[C@H](CO)C3)c(OC)nc2c1 ZINC000012118292 401779956 /nfs/dbraw/zinc/77/99/56/401779956.db2.gz LHWAEPDUWJGDSY-LBPRGKRZSA-N 1 0 302.374 2.066 40 0 DEABRO COc1ccc(N2C(=O)C[C@H]([NH2+]C3CCC(C)CC3)C2=O)cc1 ZINC000017746971 401820828 /nfs/dbraw/zinc/82/08/28/401820828.db2.gz RLKIPKNDFSNFRW-ZUEPYMLJSA-N 1 0 316.401 2.495 40 0 DEABRO COc1ccc(C[N@@H+]2CCC[C@@H]3CN(C(C)=O)C[C@@H]32)cc1OC ZINC000019019578 401821513 /nfs/dbraw/zinc/82/15/13/401821513.db2.gz ISEGNANEYCKJCW-CVEARBPZSA-N 1 0 318.417 2.147 40 0 DEABRO CC1(C)[C@@H]2CC[C@@H](C2)[C@@]1(C)NC(=O)C[NH2+]CCN1CCCC1 ZINC000022587052 401826953 /nfs/dbraw/zinc/82/69/53/401826953.db2.gz GUFSPRZYMMTPOY-RVKKMQEKSA-N 1 0 307.482 2.003 40 0 DEABRO Cn1cc(C[NH+]2CCC3(C[C@@H](OCC4CCC4)CO3)CC2)cn1 ZINC000096106953 402059180 /nfs/dbraw/zinc/05/91/80/402059180.db2.gz XYOUJKFEXQWXFX-QGZVFWFLSA-N 1 0 319.449 2.360 40 0 DEABRO Fc1ccc2c(c1)nc1n2[C@@H](C[NH2+]Cc2ccccn2)COC1 ZINC000096112727 402060386 /nfs/dbraw/zinc/06/03/86/402060386.db2.gz MSWOXLVUOGGVQH-AWEZNQCLSA-N 1 0 312.348 2.432 40 0 biogenic,in-vitro DEABRO CN(C)C(=O)[C@@H]1C[C@@]2(CO1)CCC[N@H+](Cc1cccs1)C2 ZINC000096048882 402051201 /nfs/dbraw/zinc/05/12/01/402051201.db2.gz OZCJGGOLIJLVBT-HOCLYGCPSA-N 1 0 308.447 2.207 40 0 DEABRO CC(C)CN1CCN(C)C2(CC[NH+](Cc3ccco3)CC2)C1=O ZINC000096050045 402052136 /nfs/dbraw/zinc/05/21/36/402052136.db2.gz XGNYZMHIBSTADQ-UHFFFAOYSA-N 1 0 319.449 2.044 40 0 DEABRO COCCN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2Cc1ccc(C)s1 ZINC000096056488 402052734 /nfs/dbraw/zinc/05/27/34/402052734.db2.gz MHJJTSUEZVZKFI-HUUCEWRRSA-N 1 0 308.447 2.268 40 0 DEABRO Cc1ccc(CN2CCO[C@@H]3[C@@H](COCC[NH+](C)C)CC[C@@H]32)o1 ZINC000096055205 402052929 /nfs/dbraw/zinc/05/29/29/402052929.db2.gz AUVLPZCVMAQXIR-BPQIPLTHSA-N 1 0 322.449 2.146 40 0 DEABRO Cn1nnc2c1[C@H](COCc1ccccc1)C[N@H+](CC1CC1)C2 ZINC000096060817 402055110 /nfs/dbraw/zinc/05/51/10/402055110.db2.gz UBGHXSDBIZYHAS-INIZCTEOSA-N 1 0 312.417 2.341 40 0 DEABRO O=C1NC(c2ccccc2)=N[C@@]12CC[C@@H]1C[N@H+](CC3CC3)C[C@@H]12 ZINC000096061764 402055226 /nfs/dbraw/zinc/05/52/26/402055226.db2.gz FEDNFBHTBICJOQ-JTDSTZFVSA-N 1 0 309.413 2.054 40 0 DEABRO CC(C)[N@@H+]1CCOC[C@@]2(CCCN(Cc3ccccn3)C2)C1 ZINC000096076216 402057052 /nfs/dbraw/zinc/05/70/52/402057052.db2.gz LGHQEYWOEZNENB-GOSISDBHSA-N 1 0 303.450 2.404 40 0 DEABRO CCOC[C@H]1CCC2(CCN(C(=O)Cc3ccco3)CC2)[N@@H+]1C ZINC000096209507 402070170 /nfs/dbraw/zinc/07/01/70/402070170.db2.gz GAAXWEVVFPRNKV-OAHLLOKOSA-N 1 0 320.433 2.314 40 0 DEABRO COC[C@H]1C[N@H+](C)C[C@@]12CCN(C(=O)/C=C/c1cccs1)C2 ZINC000096219826 402071029 /nfs/dbraw/zinc/07/10/29/402071029.db2.gz CUAWPWDXYUEANM-SCYVGKGRSA-N 1 0 320.458 2.188 40 0 DEABRO c1ccc(C[N@@H+]2CC[C@@]3(C[C@H](Nc4cccnc4)CO3)C2)nc1 ZINC000096218948 402071468 /nfs/dbraw/zinc/07/14/68/402071468.db2.gz XGCQOACBAPQXMN-ZWKOTPCHSA-N 1 0 310.401 2.322 40 0 DEABRO CC[N@H+](C)[C@H]1COC2(C1)CCN(C(=O)Cc1cccs1)CC2 ZINC000096220805 402071861 /nfs/dbraw/zinc/07/18/61/402071861.db2.gz JUXCYESTYJIFBF-CQSZACIVSA-N 1 0 322.474 2.392 40 0 DEABRO CC[N@@H+]1CCOCC12CCN(C(=O)Cc1ccsc1)CC2 ZINC000096226158 402072582 /nfs/dbraw/zinc/07/25/82/402072582.db2.gz FOGIGGZILAWUOU-UHFFFAOYSA-N 1 0 308.447 2.004 40 0 DEABRO CC[N@@H+]1CCOC[C@]2(CCCN(C(=O)c3ccccc3F)C2)C1 ZINC000096228884 402072682 /nfs/dbraw/zinc/07/26/82/402072682.db2.gz WTKMIOVSUGDRDF-GOSISDBHSA-N 1 0 320.408 2.400 40 0 DEABRO Cc1ccc(C[N@H+]2C[C@H]3CN(C(=O)c4ccncc4)C[C@H]3C2)o1 ZINC000096245562 402074235 /nfs/dbraw/zinc/07/42/35/402074235.db2.gz HMANMJYMTFODIK-IYBDPMFKSA-N 1 0 311.385 2.187 40 0 DEABRO c1nnc(N2CC[C@@H]3[C@@H]2CC[N@H+]3CCc2ccccc2)s1 ZINC000096184893 402065202 /nfs/dbraw/zinc/06/52/02/402065202.db2.gz INDVBTIEZQAKKU-CABCVRRESA-N 1 0 300.431 2.434 40 0 DEABRO OCC[NH+](CCO)Cc1ccc(COc2ccccc2)cc1 ZINC000068606167 402202322 /nfs/dbraw/zinc/20/23/22/402202322.db2.gz FHYGBXUQAQMKII-UHFFFAOYSA-N 1 0 301.386 2.052 40 0 DEABRO Cc1ccccc1C[N@H+]1C[C@H]2C[C@@H](C(=O)NCC(C)C)[C@@H](C1)O2 ZINC000107263590 402228478 /nfs/dbraw/zinc/22/84/78/402228478.db2.gz BCSPKOYCVWTJDE-KZNAEPCWSA-N 1 0 316.445 2.357 40 0 DEABRO CC(C)[N@@H+]1[C@H](CN(C)C)C[C@@H]2CN(Cc3ccccn3)CC[C@@H]21 ZINC000248048578 402581612 /nfs/dbraw/zinc/58/16/12/402581612.db2.gz WWKHHGMHJSUMFF-NEWSRXKRSA-N 1 0 316.493 2.316 40 0 DEABRO CN(C)c1cc(N2CC3(C2)C[C@@H](OCC2CC2)CS3)ncn1 ZINC000248131742 402583433 /nfs/dbraw/zinc/58/34/33/402583433.db2.gz QMMLXSJNWNSNLC-CYBMUJFWSA-N 1 0 320.462 2.034 40 0 DEABRO COC[C@H]1CC[N@H+](C)C2(CN(C(=O)CC3=CCCCC3)C2)C1 ZINC000248165762 402583954 /nfs/dbraw/zinc/58/39/54/402583954.db2.gz ZSQHGOUTKMTKLL-INIZCTEOSA-N 1 0 306.450 2.446 40 0 DEABRO CN(C)c1ncc(C[N@@H+]2CCC[C@@H](c3nccs3)C2)cn1 ZINC000257205476 402703390 /nfs/dbraw/zinc/70/33/90/402703390.db2.gz AZGJANAIRZTEIM-CYBMUJFWSA-N 1 0 303.435 2.379 40 0 DEABRO O=C(N[C@@H]1CC[C@@H]([NH+]2CCCC2)[C@@H]1O)c1ccccc1Cl ZINC000257220832 402704712 /nfs/dbraw/zinc/70/47/12/402704712.db2.gz DMJACLLLZIMAEG-RBSFLKMASA-N 1 0 308.809 2.058 40 0 DEABRO Cc1ccc(C(=O)N(C)[C@@H]2CC[C@@H]([NH+]3CCCC3)[C@@H]2O)cc1 ZINC000257231244 402706141 /nfs/dbraw/zinc/70/61/41/402706141.db2.gz GFXLGGRPAXFITM-BRWVUGGUSA-N 1 0 302.418 2.055 40 0 DEABRO Cc1nccc(C[N@H+]2C[C@@H]3[C@H](Oc4cccnc4)CC[C@@H]3C2)n1 ZINC000257252355 402708959 /nfs/dbraw/zinc/70/89/59/402708959.db2.gz JUNMIWXMLWFFGR-FHLIZLRMSA-N 1 0 310.401 2.469 40 0 DEABRO Cc1ncc(C[N@@H+]2CCC[C@H](c3ccc4c[nH]nc4n3)C2)cn1 ZINC000257266274 402710597 /nfs/dbraw/zinc/71/05/97/402710597.db2.gz MCGNWHLCDLNYTR-HNNXBMFYSA-N 1 0 308.389 2.436 40 0 DEABRO O=C1CO[C@H]2CC[N@H+](Cc3ccc4ccccc4c3)CC[C@@H]2N1 ZINC000257324458 402712014 /nfs/dbraw/zinc/71/20/14/402712014.db2.gz WOTIVAMRMKDYSS-ROUUACIJSA-N 1 0 310.397 2.319 40 0 DEABRO CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1CCC(C)(c2cc[nH]n2)CC1 ZINC000257205643 402703217 /nfs/dbraw/zinc/70/32/17/402703217.db2.gz AZZPNVAMGBKPLH-CQSZACIVSA-N 1 0 304.438 2.163 40 0 DEABRO OCCNc1cc(N2CCc3ccccc3C2)nc(C2CC2)n1 ZINC000329051885 404212941 /nfs/dbraw/zinc/21/29/41/404212941.db2.gz UYGWIQSTFZOXMH-UHFFFAOYSA-N 1 0 310.401 2.321 40 0 DEABRO Cc1ccc(Cl)cc1Nc1cc(C2CC2)nc(NCCO)n1 ZINC000328968525 404183605 /nfs/dbraw/zinc/18/36/05/404183605.db2.gz DALPUJZZXAIVJC-UHFFFAOYSA-N 1 0 318.808 2.307 40 0 DEABRO c1c(NC[C@@H]2CCCO2)nc(NC2CCCC2)[nH+]c1C1CC1 ZINC000329020360 404203851 /nfs/dbraw/zinc/20/38/51/404203851.db2.gz OBSDBNJVEJLARK-AWEZNQCLSA-N 1 0 302.422 2.143 40 0 DEABRO OCC[NH2+]Cc1cc(Br)ccc1Oc1ncccn1 ZINC000575424323 406810492 /nfs/dbraw/zinc/81/04/92/406810492.db2.gz YXYKDDLKGIIVKU-UHFFFAOYSA-N 1 0 324.178 2.113 40 0 DEABRO CC(C)[C@@H](CO)Nc1nc(NCc2ccco2)cc(C2CC2)[nH+]1 ZINC000329011501 424902611 /nfs/dbraw/zinc/90/26/11/424902611.db2.gz MFSUUCZQHUBXRZ-OAHLLOKOSA-N 1 0 316.405 2.988 40 0 DEABRO CO[C@H]1CCN(CC2CC2)[C@@H]2C[N@H+](Cc3cccnc3)C[C@@H]21 ZINC000096206314 274080104 /nfs/dbraw/zinc/08/01/04/274080104.db2.gz VWYJKYSQMGTZKH-KSZLIROESA-N 1 0 301.434 2.013 40 0 DEABRO C[NH+](C)C[C@H]1COc2ccccc2CN1C(=O)c1cscn1 ZINC000072394835 276808296 /nfs/dbraw/zinc/80/82/96/276808296.db2.gz AITQAUQGWDTSHZ-ZDUSSCGKSA-N 1 0 317.414 2.108 40 0 DEABRO O=C(C[C@H]1CC2(CC[NH2+]CC2)Oc2ccccc21)NC1CC1 ZINC000306137884 279794437 /nfs/dbraw/zinc/79/44/37/279794437.db2.gz RJCWDPVCBKGTBA-ZDUSSCGKSA-N 1 0 300.402 2.344 40 0 DEABRO C[N@@H+]1CC[C@@](O)(c2ccccc2)[C@H](CCC(=O)N2CCCC2)C1 ZINC000001706797 290184004 /nfs/dbraw/zinc/18/40/04/290184004.db2.gz HEPIYVBFOFFFNE-IEBWSBKVSA-N 1 0 316.445 2.229 40 0 DEABRO COc1ccc(N2C(=O)C[C@H]([NH+]3C[C@@H](C)C[C@H](C)C3)C2=O)cc1 ZINC000245377216 533996287 /nfs/dbraw/zinc/99/62/87/533996287.db2.gz IYYCNRSLERBFNP-XEZPLFJOSA-N 1 0 316.401 2.305 40 0 DEABRO CCOC(=O)c1cccc(NC(=S)NCCC[NH+](C)C)c1C ZINC000225402614 201701318 /nfs/dbraw/zinc/70/13/18/201701318.db2.gz MWAZFFVBAJLPPM-UHFFFAOYSA-N 1 0 323.462 2.410 40 0 DEABRO CC(C)N(C(=O)OCc1ccccc1)[C@@H]1CCN(CC[NH3+])C1 ZINC000079411641 185170102 /nfs/dbraw/zinc/17/01/02/185170102.db2.gz RHNSUHOFTXNWHO-MRXNPFEDSA-N 1 0 305.422 2.067 40 0 DEABRO O=C([O-])C[NH+]1CCC(C[N@H+](Cc2ccccc2)C2CC2)CC1 ZINC000079416280 185170704 /nfs/dbraw/zinc/17/07/04/185170704.db2.gz LIHKCJSCAHBOME-UHFFFAOYSA-N 1 0 302.418 2.448 40 0 DEABRO O=C1N(CC2CC2)C[C@@]2(F)C[N@@H+](C[C@@H]3C[C@@H]4C=C[C@H]3C4)C[C@@]12F ZINC000306135955 231088366 /nfs/dbraw/zinc/08/83/66/231088366.db2.gz PFDVGJLAOJWWHE-CFVWQIKISA-N 1 0 322.399 2.183 40 0 DEABRO CC[N@H+](CCN)CC1CCN(C(=O)OCc2ccccc2)CC1 ZINC000079391799 185168397 /nfs/dbraw/zinc/16/83/97/185168397.db2.gz GWGYOBFVFLMBLO-UHFFFAOYSA-N 1 0 319.449 2.316 40 0 DEABRO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1ccc(Sc2nc[nH]n2)o1 ZINC000072324540 191123458 /nfs/dbraw/zinc/12/34/58/191123458.db2.gz UVXMCCQSGADFPI-NWDGAFQWSA-N 1 0 319.434 2.217 40 0 DEABRO Cc1ncccc1Oc1nccnc1[C@@H]1CCC[N@H+](CCO)C1 ZINC000072383509 191143985 /nfs/dbraw/zinc/14/39/85/191143985.db2.gz KILRUYWTLCNBDK-CQSZACIVSA-N 1 0 314.389 2.144 40 0 DEABRO CC1CCN(C(=O)c2cnc(C[C@@H]3CCC[N@H+](C)C3)cn2)CC1 ZINC000072387199 191145129 /nfs/dbraw/zinc/14/51/29/191145129.db2.gz PZWJUJPTMUHPAT-HNNXBMFYSA-N 1 0 316.449 2.233 40 0 DEABRO CCNC(=O)[C@@]1(Cc2cc(-c3ccc(C)cc3)no2)CCC[NH2+]1 ZINC000019696496 354045617 /nfs/dbraw/zinc/04/56/17/354045617.db2.gz QNBVALBRHPLGSO-SFHVURJKSA-N 1 0 313.401 2.451 40 0 DEABRO COc1cccc(C[N@@H+]2C[C@H]3CN(c4ncccn4)CC[C@@H]32)c1 ZINC000585107908 357334924 /nfs/dbraw/zinc/33/49/24/357334924.db2.gz DZYNIWMXYHAVDP-WBVHZDCISA-N 1 0 310.401 2.196 40 0 DEABRO COC[C@]1(CC(N)=O)CCC[N@@H+]1Cc1ccc2ncccc2c1 ZINC000585276581 357342062 /nfs/dbraw/zinc/34/20/62/357342062.db2.gz BMZYQIPYZMWTBJ-GOSISDBHSA-N 1 0 313.401 2.091 40 0 DEABRO Cc1ccccc1OC[C@@]1(O)COCC[N@@H+](C2CCCC2)C1 ZINC000585277820 357343200 /nfs/dbraw/zinc/34/32/00/357343200.db2.gz YDUGWMUEWWWTNW-SFHVURJKSA-N 1 0 305.418 2.380 40 0 DEABRO OC[C@@H]1[C@H](O)[C@@H](c2ccc(F)cc2)C[N@@H+]1Cc1cccc(F)c1 ZINC000585292200 357346150 /nfs/dbraw/zinc/34/61/50/357346150.db2.gz FWWFUKMTSQWBPV-KZNAEPCWSA-N 1 0 319.351 2.286 40 0 DEABRO CC(C)[NH+]1CCC(Cc2cc(N3C(=O)OC[C@@H]3C)ncn2)CC1 ZINC000257263296 202992945 /nfs/dbraw/zinc/99/29/45/202992945.db2.gz LPDZEBCLKQUOHM-ZDUSSCGKSA-N 1 0 318.421 2.485 40 0 DEABRO Cc1nc([C@@H]2CC[NH2+]C2)nc2c1CCC(=O)N2CCC(C)C ZINC000257275393 203003288 /nfs/dbraw/zinc/00/32/88/203003288.db2.gz NPFHXDMCGLWDBY-CYBMUJFWSA-N 1 0 302.422 2.187 40 0 DEABRO Cc1noc(C)c1-c1ccc([C@H]2CCC[N@@H+]2CCC(N)=O)nc1 ZINC000257279013 203009181 /nfs/dbraw/zinc/00/91/81/203009181.db2.gz OEPMMRSLTMVWDO-OAHLLOKOSA-N 1 0 314.389 2.366 40 0 DEABRO O=C(NCC[NH+]1CCCCC1)c1cccnc1-c1cncs1 ZINC000257282526 203010662 /nfs/dbraw/zinc/01/06/62/203010662.db2.gz OUBSNTSVFLULOH-UHFFFAOYSA-N 1 0 316.430 2.421 40 0 DEABRO c1cnc(C[C@H]2CC3(CO2)CC[NH+](C2CCOCC2)CC3)cn1 ZINC000257290445 203015360 /nfs/dbraw/zinc/01/53/60/203015360.db2.gz QCZJRSWGYQQSQQ-KRWDZBQOSA-N 1 0 317.433 2.069 40 0 DEABRO CC(=O)N[C@H]1CC[N@H+](Cc2cccc3ccccc32)CC[C@@H]1O ZINC000257315515 203040704 /nfs/dbraw/zinc/04/07/04/203040704.db2.gz VBTKMBKSLREESW-OALUTQOASA-N 1 0 312.413 2.301 40 0 DEABRO CCN(C(=O)OC(C)(C)C)[C@@H]1CCCC[C@H]1NC(=O)[C@H](C)[NH3+] ZINC000079409749 284193415 /nfs/dbraw/zinc/19/34/15/284193415.db2.gz JPXOSCKLCVIHBC-YNEHKIRRSA-N 1 0 313.442 2.018 40 0 DEABRO O[C@@H]1C[C@@H](c2nc(-c3ccncc3)no2)N(Cc2ccccc2)C1 ZINC000015674428 182011595 /nfs/dbraw/zinc/01/15/95/182011595.db2.gz HONKCESWWMMHJK-CVEARBPZSA-N 1 0 322.368 2.440 40 0 biogenic,in-vitro DEABRO CC[N@H+](C)[C@@H]1CN(C(=O)c2ccnn2C)C2(C1)CCCCC2 ZINC000257227643 284368030 /nfs/dbraw/zinc/36/80/30/284368030.db2.gz FQGIGRVPJSHDCH-AWEZNQCLSA-N 1 0 304.438 2.289 40 0 DEABRO COc1ccccc1C[N@@H+]1CCC[C@H](c2nc(C)cc(=O)[nH]2)C1 ZINC000019117998 182105205 /nfs/dbraw/zinc/10/52/05/182105205.db2.gz SFROGTTVLGVCBQ-HNNXBMFYSA-N 1 0 313.401 2.467 40 0 DEABRO O=C1CC[C@@H]([NH2+]Cc2ccccn2)[C@H](c2cc(F)cc(F)c2)N1 ZINC000019401950 182121821 /nfs/dbraw/zinc/12/18/21/182121821.db2.gz DXGJWBRTFGCTMS-WBVHZDCISA-N 1 0 317.339 2.469 40 0 DEABRO COc1cc(CN2C[C@@H]3CCC[N@@H+]3C[C@H]2C)cc(OC)c1OC ZINC000019575064 182131396 /nfs/dbraw/zinc/13/13/96/182131396.db2.gz IHARWUOPTWUDKY-HIFRSBDPSA-N 1 0 320.433 2.381 40 0 DEABRO C[NH+]1CCN(CCCNC(=O)/C=C/c2ccccc2Cl)CC1 ZINC000022829315 182335880 /nfs/dbraw/zinc/33/58/80/182335880.db2.gz OKWDXIQYTHOVHG-BQYQJAHWSA-N 1 0 321.852 2.107 40 0 DEABRO O=S1(=O)c2ccccc2[C@@]2(CC[NH2+]C2)N1Cc1ccccc1 ZINC000107500640 285074535 /nfs/dbraw/zinc/07/45/35/285074535.db2.gz OSUUYGWCUYNAIB-KRWDZBQOSA-N 1 0 314.410 2.080 40 0 DEABRO CC(C)[NH2+]C[C@H](O)COc1c(F)cc(Br)cc1F ZINC000000230603 401691843 /nfs/dbraw/zinc/69/18/43/401691843.db2.gz HAVZRONFLIJBFX-VIFPVBQESA-N 1 0 324.165 2.465 40 0 DEABRO O=C(C[NH+]1CCC(c2ccc3c(c2)OCO3)CC1)N1CCCC1 ZINC000072342099 401708890 /nfs/dbraw/zinc/70/88/90/401708890.db2.gz KYLFMYJUQDKXCN-UHFFFAOYSA-N 1 0 316.401 2.217 40 0 DEABRO COc1ccc(N2C(=O)C[C@H]([N@H+]3C[C@H](C)C[C@H](C)C3)C2=O)cc1 ZINC000013450803 401800023 /nfs/dbraw/zinc/80/00/23/401800023.db2.gz IYYCNRSLERBFNP-ZENOOKHLSA-N 1 0 316.401 2.305 40 0 DEABRO O=C(/C=C/c1ccc2c(c1)OCO2)NCCC[NH+]1CCCC1 ZINC000013675139 401802959 /nfs/dbraw/zinc/80/29/59/401802959.db2.gz ZCHLWFXPGNXLBS-FNORWQNLSA-N 1 0 302.374 2.031 40 0 DEABRO C[NH2+]CCCNCc1ccc(-c2ccc(C(=O)OC)cc2)o1 ZINC000008377146 401752582 /nfs/dbraw/zinc/75/25/82/401752582.db2.gz TUCICICWOLHODW-UHFFFAOYSA-N 1 0 302.374 2.432 40 0 DEABRO CC[C@@H](C)NC(=O)Cn1cccc2cc([C@@H]3CCC[NH2+]C3)nc1-2 ZINC000012241869 401782343 /nfs/dbraw/zinc/78/23/43/401782343.db2.gz VXABRGGIUDEMJK-UKRRQHHQSA-N 1 0 314.433 2.370 40 0 DEABRO OCc1ccc(C[N@@H+]2CC[C@H](c3nnc(-c4ccco4)o3)C2)o1 ZINC000049169491 402013120 /nfs/dbraw/zinc/01/31/20/402013120.db2.gz TVZHKMQARUAFOT-NSHDSACASA-N 1 0 315.329 2.404 40 0 biogenic,in-vitro DEABRO CCO[C@H]1CO[C@@]2(CC[N@H+](Cc3cc(OC)cc(OC)c3)C2)C1 ZINC000096107693 402058894 /nfs/dbraw/zinc/05/88/94/402058894.db2.gz PBDYWGMERLXKOP-MSOLQXFVSA-N 1 0 321.417 2.474 40 0 DEABRO C[N@@H+]1CCO[C@@H]2CN(C(=O)CCc3ccccc3Cl)C[C@@H]2C1 ZINC000096107953 402059744 /nfs/dbraw/zinc/05/97/44/402059744.db2.gz HDYLPVAWWZSSCR-GOEBONIOSA-N 1 0 322.836 2.062 40 0 DEABRO Cn1cc(CN2C[C@@H]3C[N@@H+](Cc4cccc(F)c4)C[C@@H]3C2)cn1 ZINC000096110648 402060435 /nfs/dbraw/zinc/06/04/35/402060435.db2.gz VKKQHANJDGATJF-CALCHBBNSA-N 1 0 314.408 2.123 40 0 DEABRO COc1ccc(C[N@@H+]2CCOC[C@H](Oc3cccnc3)C2)cc1 ZINC000096113204 402060509 /nfs/dbraw/zinc/06/05/09/402060509.db2.gz VBDVTAJXCRRSAA-GOSISDBHSA-N 1 0 314.385 2.370 40 0 biogenic,in-vitro DEABRO C[NH+](C)CCN1CC[C@@H]2[C@@H]1CCN2C(=O)c1cccc(Cl)c1 ZINC000096038552 402048061 /nfs/dbraw/zinc/04/80/61/402048061.db2.gz HQZSSAONFCUARV-JKSUJKDBSA-N 1 0 321.852 2.190 40 0 DEABRO O=C(NCC1CC1)[C@H]1C[N@H+](Cc2ccco2)CC12CCOCC2 ZINC000096052121 402051738 /nfs/dbraw/zinc/05/17/38/402051738.db2.gz PDHQGBBTCBOBJU-MRXNPFEDSA-N 1 0 318.417 2.034 40 0 DEABRO O=C(c1cscn1)N1C[C@@H]2C[NH+](Cc3cccs3)C[C@H]2C1 ZINC000096053923 402052469 /nfs/dbraw/zinc/05/24/69/402052469.db2.gz IJLOLRJWONVDFE-RYUDHWBXSA-N 1 0 319.455 2.409 40 0 DEABRO Cc1cccc(CN2C(=O)C[C@H]3[C@@H]2CC[N@@H+]3Cc2ccccn2)n1 ZINC000096054041 402052528 /nfs/dbraw/zinc/05/25/28/402052528.db2.gz NOWWFJYTRWGINQ-ROUUACIJSA-N 1 0 322.412 2.160 40 0 DEABRO O=C1[C@H]2C[N@H+](Cc3ccco3)C[C@@H]2CCN1Cc1cccnc1 ZINC000096054629 402052553 /nfs/dbraw/zinc/05/25/53/402052553.db2.gz MIVBVZHXMYGIHD-RDJZCZTQSA-N 1 0 311.385 2.155 40 0 DEABRO O=C(NCC1CC1)[C@@H]1CC[C@@H]2[C@@H](CC[N@@H+]2Cc2cccs2)O1 ZINC000096057316 402053182 /nfs/dbraw/zinc/05/31/82/402053182.db2.gz DQXAIRXHUSQZRP-OAGGEKHMSA-N 1 0 320.458 2.396 40 0 DEABRO O=C([C@@H]1CCO[C@@H]2CC[N@H+](Cc3ccco3)C[C@H]21)N1CCCC1 ZINC000096058262 402054090 /nfs/dbraw/zinc/05/40/90/402054090.db2.gz LHUZBCSVBHBHBT-IXDOHACOSA-N 1 0 318.417 2.129 40 0 DEABRO CN(C)C(=O)[C@H]1CCC2(CC[NH+](Cc3cccs3)CC2)O1 ZINC000096061121 402054809 /nfs/dbraw/zinc/05/48/09/402054809.db2.gz UAUXTIXIFPNDSU-CQSZACIVSA-N 1 0 308.447 2.350 40 0 DEABRO Cc1ccc(C[NH+]2CCC3(CC[C@@H](C(=O)N(C)C)O3)CC2)o1 ZINC000096061131 402055026 /nfs/dbraw/zinc/05/50/26/402055026.db2.gz FSUQSDQSPGMOCI-HNNXBMFYSA-N 1 0 306.406 2.190 40 0 DEABRO O=C1C[C@H](c2ccncc2)C2(CC[NH+](Cc3cccnc3)CC2)N1 ZINC000096061551 402055671 /nfs/dbraw/zinc/05/56/71/402055671.db2.gz SVZYFELSPCFHAS-QGZVFWFLSA-N 1 0 322.412 2.115 40 0 DEABRO c1coc(C[N@@H+]2CC[C@@]3(C[C@@H](Oc4cccnc4)CO3)C2)c1 ZINC000096072512 402056230 /nfs/dbraw/zinc/05/62/30/402056230.db2.gz VSYXXFLLTPCOHH-IAGOWNOFSA-N 1 0 300.358 2.487 40 0 DEABRO COC[C@H]1C(=O)NCC12CC[NH+](Cc1ccc(C)s1)CC2 ZINC000096206138 402069011 /nfs/dbraw/zinc/06/90/11/402069011.db2.gz MJKLAZKBHBKDHS-AWEZNQCLSA-N 1 0 308.447 2.031 40 0 DEABRO O=C1CCCN1[C@H]1CCO[C@]2(CC[N@H+](Cc3cccs3)C2)C1 ZINC000096209544 402070268 /nfs/dbraw/zinc/07/02/68/402070268.db2.gz FNXRXHLIJIPFPX-WMLDXEAASA-N 1 0 320.458 2.494 40 0 DEABRO Cc1ccc(C[N@@H+]2C[C@@H]3C[C@H](CC(=O)NC4CC4)O[C@@H]3C2)s1 ZINC000096215367 402070285 /nfs/dbraw/zinc/07/02/85/402070285.db2.gz PGWWKKMURCTZFV-JGGQBBKZSA-N 1 0 320.458 2.315 40 0 DEABRO COCC[N@@H+]1CCCC[C@]12CC(=O)N(c1ccccc1OC)C2 ZINC000096217294 402071065 /nfs/dbraw/zinc/07/10/65/402071065.db2.gz WGJDCVRMFSAGCJ-GOSISDBHSA-N 1 0 318.417 2.303 40 0 DEABRO COCC[NH+]1CCC2(CCC(=O)N2Cc2csc(C)n2)CC1 ZINC000096228176 402072564 /nfs/dbraw/zinc/07/25/64/402072564.db2.gz BFHXCBDIZPTCED-UHFFFAOYSA-N 1 0 323.462 2.055 40 0 DEABRO O=C(c1ccsc1)N1CCC2(CC1)COCC[N@@H+]2CC1CC1 ZINC000096226181 402072606 /nfs/dbraw/zinc/07/26/06/402072606.db2.gz MKGDTKAXIQRUPV-UHFFFAOYSA-N 1 0 320.458 2.465 40 0 DEABRO CCN1CCN(C)C(=O)C12CC[NH+](Cc1cccc(C)c1)CC2 ZINC000096230253 402073229 /nfs/dbraw/zinc/07/32/29/402073229.db2.gz VFUAGJZKNLPVOW-UHFFFAOYSA-N 1 0 315.461 2.124 40 0 DEABRO c1ccc(C[N@@H+]2CCc3ncnc(NC4CCC4)c3CC2)nc1 ZINC000096255758 402075352 /nfs/dbraw/zinc/07/53/52/402075352.db2.gz HSKHQHKFTQRRRD-UHFFFAOYSA-N 1 0 309.417 2.437 40 0 DEABRO CCC1=N[C@@]2(CC[C@@H]3C[N@H+](Cc4ccccc4F)C[C@@H]32)C(=O)N1 ZINC000096261567 402076147 /nfs/dbraw/zinc/07/61/47/402076147.db2.gz JXFOXNNPOTYHLB-UVBSCNOISA-N 1 0 315.392 2.345 40 0 DEABRO COc1ccccc1-c1cn2c(n1)CO[C@@H](C[NH2+]C(C)C)C2 ZINC000096296301 402076861 /nfs/dbraw/zinc/07/68/61/402076861.db2.gz WVGZPIFKZICAQK-ZDUSSCGKSA-N 1 0 301.390 2.456 40 0 biogenic,in-vitro DEABRO c1ccc(C[N@@H+]2CCC[C@]3(CCN(c4ncccn4)C3)C2)nc1 ZINC000096158048 402063411 /nfs/dbraw/zinc/06/34/11/402063411.db2.gz ZPCGWEJPGXWRSL-SFHVURJKSA-N 1 0 309.417 2.364 40 0 DEABRO Cc1cc(C)cc(C[N@H+]2CC[C@@H]3[C@@H]2CCN3CC(=O)N(C)C)c1 ZINC000096184384 402064960 /nfs/dbraw/zinc/06/49/60/402064960.db2.gz QJHNUBDWESFBLO-ZWKOTPCHSA-N 1 0 315.461 2.040 40 0 DEABRO c1cncc(O[C@H]2C[N@@H+](CC3CCOCC3)[C@@H]3CCCO[C@@H]32)c1 ZINC000096187111 402066065 /nfs/dbraw/zinc/06/60/65/402066065.db2.gz YYNYXRCJEMAFBW-SQNIBIBYSA-N 1 0 318.417 2.119 40 0 DEABRO Cc1ccoc1C(=O)N1CCn2cc(C[NH+]3CCCC3)nc2C1 ZINC000096197232 402067356 /nfs/dbraw/zinc/06/73/56/402067356.db2.gz HAYHDTPEGDCBFG-UHFFFAOYSA-N 1 0 314.389 2.036 40 0 DEABRO Cc1cccc(Cn2c(=O)ccc3c2CC[N@H+](CC2CC2)CC3)n1 ZINC000096196730 402067567 /nfs/dbraw/zinc/06/75/67/402067567.db2.gz SCDAJMGKTVWKBC-UHFFFAOYSA-N 1 0 323.440 2.411 40 0 DEABRO c1cnn(Cc2cnc3n2CC[N@@H+](Cc2cccs2)CC3)c1 ZINC000096196931 402067584 /nfs/dbraw/zinc/06/75/84/402067584.db2.gz SPSAMEYVYALYCU-UHFFFAOYSA-N 1 0 313.430 2.248 40 0 DEABRO O=C1NC2(C[C@H]1c1ccncc1)CC[NH+](Cc1ccccn1)CC2 ZINC000096199544 402068366 /nfs/dbraw/zinc/06/83/66/402068366.db2.gz BDMLLXKJPLFPQF-KRWDZBQOSA-N 1 0 322.412 2.115 40 0 DEABRO COc1ccc2c3c1O[C@@H]1C(OC)=CC=C4[C@H](C2)[N@@H+](C)CC[C@]341 ZINC000066407652 402133103 /nfs/dbraw/zinc/13/31/03/402133103.db2.gz FQXXSQDCDRQNQE-MJXNMMHHSA-N 1 0 311.381 2.425 40 0 biogenic,in-man DEABRO Cc1noc(C)c1CN1C[C@H]2C[NH+](Cc3ccccn3)C[C@@H]2C1 ZINC000097971510 402133869 /nfs/dbraw/zinc/13/38/69/402133869.db2.gz CKMRADMOARYKNR-HZPDHXFCSA-N 1 0 312.417 2.250 40 0 DEABRO C[NH+]1CCC(NC(=O)Cc2cccc(Br)c2)CC1 ZINC000123914258 402153669 /nfs/dbraw/zinc/15/36/69/402153669.db2.gz PDFAZPWYUOPDBG-UHFFFAOYSA-N 1 0 311.223 2.202 40 0 DEABRO Cn1cc(N2C(=O)CC[C@@H]3[C@H]2CC[N@@H+]3Cc2ccccc2)cn1 ZINC000107206016 402227359 /nfs/dbraw/zinc/22/73/59/402227359.db2.gz OPOKKTCNIBMNCF-IAGOWNOFSA-N 1 0 310.401 2.190 40 0 DEABRO Cc1ccc(C[N@@H+]2CC[C@@]3(C[C@@H](Nc4ncccn4)CO3)C2)o1 ZINC000107728866 402239516 /nfs/dbraw/zinc/23/95/16/402239516.db2.gz HELMIZKCOVWXMQ-RHSMWYFYSA-N 1 0 314.389 2.224 40 0 DEABRO Fc1ccc(C[N@@H+]2CC[C@]3(C[C@@H](n4cnnc4)CO3)C2)cc1 ZINC000107786324 402240763 /nfs/dbraw/zinc/24/07/63/402240763.db2.gz WHDVPFXQBHJCDM-CVEARBPZSA-N 1 0 302.353 2.023 40 0 DEABRO O=S(=O)(c1ccccc1)N1C[C@H]2C[N@H+](CC3CCCC3)[C@H]2C1 ZINC000247310160 402563036 /nfs/dbraw/zinc/56/30/36/402563036.db2.gz IDKGSBSNWBEEJM-WBVHZDCISA-N 1 0 320.458 2.182 40 0 DEABRO CC(C)[N@H+]1Cc2cccn2C[C@@H](C(=O)NCc2cccnc2)C1 ZINC000247963215 402579233 /nfs/dbraw/zinc/57/92/33/402579233.db2.gz AKRUPZASCPEEJA-MRXNPFEDSA-N 1 0 312.417 2.040 40 0 DEABRO Cc1cccc(C(=O)N2CC[C@@]3(CC[N@@H+]3C[C@H]3CCCO3)C2)c1 ZINC000248143687 402583554 /nfs/dbraw/zinc/58/35/54/402583554.db2.gz GLVIVQROPZRUQB-IEBWSBKVSA-N 1 0 314.429 2.464 40 0 DEABRO Cc1cc(C)n2ncc(CN3CC[NH2+]C[C@H]3c3ccccc3)c2n1 ZINC000257224281 402705789 /nfs/dbraw/zinc/70/57/89/402705789.db2.gz FBCUBIQFCHUZLI-SFHVURJKSA-N 1 0 321.428 2.493 40 0 DEABRO CN(C)C(=O)C[N@@H+]1CCOC[C@@H](Cc2cccc3occc32)C1 ZINC000257229068 402706374 /nfs/dbraw/zinc/70/63/74/402706374.db2.gz FWOYQZSWLPYLMP-AWEZNQCLSA-N 1 0 316.401 2.012 40 0 DEABRO CC(=O)NCc1c[nH]c([C@H]2CC[N@H+](CCc3ccccc3)C2)n1 ZINC000257239400 402707587 /nfs/dbraw/zinc/70/75/87/402707587.db2.gz HPCQUXBCZFYVFG-INIZCTEOSA-N 1 0 312.417 2.078 40 0 DEABRO Cc1cc2nccc(C3CC[NH+](Cc4cnn(C)c4C)CC3)n2n1 ZINC000257247951 402708175 /nfs/dbraw/zinc/70/81/75/402708175.db2.gz JBHTZZMGYLOMPU-UHFFFAOYSA-N 1 0 324.432 2.459 40 0 DEABRO CCN1C(=O)CC[C@@H]2[N@H+](Cc3c[nH]nc3C)CCCC[C@@]21C ZINC000257249838 402708367 /nfs/dbraw/zinc/70/83/67/402708367.db2.gz JJYXENHPUZGEGF-RDJZCZTQSA-N 1 0 304.438 2.474 40 0 DEABRO c1cc2n(c1)C[C@@H](Oc1cccnc1)C[N@@H+](C1CCOCC1)C2 ZINC000253588686 402669142 /nfs/dbraw/zinc/66/91/42/402669142.db2.gz ODYUUNHPZHDVPT-GOSISDBHSA-N 1 0 313.401 2.325 40 0 DEABRO Cc1nc([C@@H]2CCCCN2C(=O)C[NH+](C)C)c2sccn12 ZINC000257322445 281989145 /nfs/dbraw/zinc/98/91/45/281989145.db2.gz WGAGYSVWRDUQMC-LBPRGKRZSA-N 1 0 306.435 2.319 40 0 DEABRO O=C([O-])C[N@@H+]1CCC[C@H](C[NH+](Cc2ccccc2)C2CC2)C1 ZINC000079416263 185170928 /nfs/dbraw/zinc/17/09/28/185170928.db2.gz JIOQAJQKQSCWIE-INIZCTEOSA-N 1 0 302.418 2.448 40 0 DEABRO CCN(CC[NH3+])C[C@@H]1CCCN(C(=O)OCc2ccccc2)C1 ZINC000079391795 185168304 /nfs/dbraw/zinc/16/83/04/185168304.db2.gz DYVKLCUTQDBUJB-KRWDZBQOSA-N 1 0 319.449 2.316 40 0 DEABRO CC(C)N(CC[NH3+])[C@@H]1CCN(C(=O)OCc2ccccc2)C1 ZINC000079391813 185168344 /nfs/dbraw/zinc/16/83/44/185168344.db2.gz XKKYZZYNKUJDJE-MRXNPFEDSA-N 1 0 305.422 2.067 40 0 DEABRO [NH3+]CCN(C[C@H]1CCCN1C(=O)OCc1ccccc1)C1CC1 ZINC000079391855 185168402 /nfs/dbraw/zinc/16/84/02/185168402.db2.gz PUPAJMCYMFHFKD-QGZVFWFLSA-N 1 0 317.433 2.211 40 0 DEABRO C[N@@H+]1CC[C@H](COCC2CC2)CC12CN(C(=O)C1CCC1)C2 ZINC000306129260 529804964 /nfs/dbraw/zinc/80/49/64/529804964.db2.gz HYTQEBKGEDEFLT-HNNXBMFYSA-N 1 0 306.450 2.136 40 0 DEABRO C[C@@H]1CCC[N@H+](C[C@@H](O)COCCOc2ccc(F)cc2)C1 ZINC000226170755 201767776 /nfs/dbraw/zinc/76/77/76/201767776.db2.gz FTGWBCGALZPYGI-GDBMZVCRSA-N 1 0 311.397 2.314 40 0 DEABRO CNC(=O)[C@H]1CCC[C@]12CC[N@H+](Cc1cncc(Cl)c1)C2 ZINC000108528284 185519060 /nfs/dbraw/zinc/51/90/60/185519060.db2.gz MUVJEMMNVKZFFE-GDBMZVCRSA-N 1 0 307.825 2.473 40 0 DEABRO O=C(C1CCC1)N1CC[NH2+]C[C@H](COCc2ccccc2)C1 ZINC000072354481 191128887 /nfs/dbraw/zinc/12/88/87/191128887.db2.gz BFJLFLADFHTRKV-INIZCTEOSA-N 1 0 302.418 2.051 40 0 DEABRO Cc1nc([C@H]2CCC[N@H+](CCc3ccccc3)C2)ncc1C(N)=O ZINC000072351991 191128459 /nfs/dbraw/zinc/12/84/59/191128459.db2.gz VWRZMUGFDUKOOL-INIZCTEOSA-N 1 0 324.428 2.306 40 0 DEABRO O=C(NCCO)c1sc2ccccc2c1C[C@@H]1CCCC[NH2+]1 ZINC000072352972 191128580 /nfs/dbraw/zinc/12/85/80/191128580.db2.gz JTYGNQCFAOXTME-LBPRGKRZSA-N 1 0 318.442 2.308 40 0 DEABRO CCc1nccn1-c1cccc([C@@H]2CCC[N@H+](CCO)C2)n1 ZINC000072355674 191130633 /nfs/dbraw/zinc/13/06/33/191130633.db2.gz AKPQOEUQKKRGED-CQSZACIVSA-N 1 0 300.406 2.001 40 0 DEABRO Cc1cc(CCC(=O)N(C)C)nc([C@@H]2CCC[N@@H+](C(C)C)C2)n1 ZINC000072366977 191136906 /nfs/dbraw/zinc/13/69/06/191136906.db2.gz ACKYXISJBYYXGL-OAHLLOKOSA-N 1 0 318.465 2.394 40 0 DEABRO Cc1nn(C)c(C)c1CN(C)C(=O)CC[C@H](C)[NH+]1CCCC1 ZINC000072390319 191147993 /nfs/dbraw/zinc/14/79/93/191147993.db2.gz BMAXYLKJRKOIRQ-ZDUSSCGKSA-N 1 0 306.454 2.260 40 0 DEABRO Cc1cccc(-c2cc(C[NH2+]C[C@@H]3CCCO3)c3nnnn3c2)c1 ZINC000072392683 191149566 /nfs/dbraw/zinc/14/95/66/191149566.db2.gz NFGJGANBIMNZLG-KRWDZBQOSA-N 1 0 323.400 2.368 40 0 DEABRO COc1ccc(N2C(=O)C[C@H]([N@@H+]3CCC[C@H](C)C3)C2=O)cc1 ZINC000006556247 353997430 /nfs/dbraw/zinc/99/74/30/353997430.db2.gz CQAJQFNBTOERDU-WFASDCNBSA-N 1 0 302.374 2.059 40 0 DEABRO Cc1noc(C)c1C(=O)N1CCC2(CC1)C[C@@H]([NH+](C)C)CCO2 ZINC000585102455 357333405 /nfs/dbraw/zinc/33/34/05/357333405.db2.gz ULKLWERBOBXTSO-AWEZNQCLSA-N 1 0 321.421 2.007 40 0 DEABRO CCn1cc(C[NH+]2CCC3(CC2)OCC[C@H]3CCOC)cn1 ZINC000585105500 357334204 /nfs/dbraw/zinc/33/42/04/357334204.db2.gz YDSDGFKEVABEMH-MRXNPFEDSA-N 1 0 307.438 2.311 40 0 DEABRO CC(C)N1C[C@@]2(CC1=O)COCC[N@H+](Cc1ccccc1)C2 ZINC000585104868 357334407 /nfs/dbraw/zinc/33/44/07/357334407.db2.gz WFNCSSBRSNSUCW-SFHVURJKSA-N 1 0 302.418 2.146 40 0 DEABRO Cc1ncc(C[N@@H+]2CCC[C@H](O)[C@@H]2Cc2ccccc2F)cn1 ZINC000585277178 357342452 /nfs/dbraw/zinc/34/24/52/357342452.db2.gz MVIKVQIPAQBNDT-ROUUACIJSA-N 1 0 315.392 2.492 40 0 DEABRO CN1CCC([NH2+][C@H]2CCC[C@@H](Oc3ccc(F)cc3)[C@@H]2O)CC1 ZINC000585283576 357344251 /nfs/dbraw/zinc/34/42/51/357344251.db2.gz BWULADHKEZXRIR-RCCFBDPRSA-N 1 0 322.424 2.170 40 0 DEABRO O[C@H]1[C@H](Oc2ccccc2)CCC[C@@H]1[NH2+]CC1CCOCC1 ZINC000585288816 357344453 /nfs/dbraw/zinc/34/44/53/357344453.db2.gz JQYXQGXMAGSNRE-RCCFBDPRSA-N 1 0 305.418 2.364 40 0 DEABRO COCC[N@@H+]1CCC[C@@H](c2cn3cccc3c(N(C)C)n2)C1 ZINC000257329200 203052141 /nfs/dbraw/zinc/05/21/41/203052141.db2.gz XIWZQHNQVMDORP-CQSZACIVSA-N 1 0 302.422 2.226 40 0 DEABRO Cc1cnc(C[N@@H+]2CCC3(CC(Nc4ccncn4)C3)C2)cn1 ZINC000257337200 203059238 /nfs/dbraw/zinc/05/92/38/203059238.db2.gz YRWGCERMAQSUJO-UHFFFAOYSA-N 1 0 310.405 2.042 40 0 DEABRO NC(=O)C[NH+]1CCC2(CO[C@H](Cc3cccc(Cl)c3)C2)CC1 ZINC000257340659 203061609 /nfs/dbraw/zinc/06/16/09/203061609.db2.gz ZHCCNWIHLGPFFJ-OAHLLOKOSA-N 1 0 322.836 2.239 40 0 DEABRO O=C(c1ccccc1)N1CCc2nc([C@@H]3CCC[NH2+]3)ncc2C1 ZINC000019368912 182120321 /nfs/dbraw/zinc/12/03/21/182120321.db2.gz PLGMINNTBCQGAT-INIZCTEOSA-N 1 0 308.385 2.100 40 0 DEABRO Fc1cccc(CN2CCc3nc([C@H]4CC[NH2+]C4)ncc3C2)c1 ZINC000019293901 182113874 /nfs/dbraw/zinc/11/38/74/182113874.db2.gz DZUZCDCWTAXGEM-AWEZNQCLSA-N 1 0 312.392 2.251 40 0 DEABRO CN(CC[NH+]1CCCCC1)C(=O)c1cc(-c2ccccn2)n[nH]1 ZINC000019717598 182137204 /nfs/dbraw/zinc/13/72/04/182137204.db2.gz OKXCFFBMCPRILI-UHFFFAOYSA-N 1 0 313.405 2.030 40 0 DEABRO Cc1cnc(CCNC(=O)C2C[NH+](C3CCCCC3)C2)s1 ZINC000019747542 182142627 /nfs/dbraw/zinc/14/26/27/182142627.db2.gz UXYATTRLFDPUEM-UHFFFAOYSA-N 1 0 307.463 2.375 40 0 DEABRO CCOc1ccc2ccccc2c1CNCC[NH2+]C[C@@H](C)O ZINC000022076121 182308502 /nfs/dbraw/zinc/30/85/02/182308502.db2.gz OEOCENVLBMDJQG-CQSZACIVSA-N 1 0 302.418 2.299 40 0 DEABRO COc1ccc([C@@H](Cc2ccccc2)NCC[NH2+]CCO)cc1 ZINC000022873618 182338538 /nfs/dbraw/zinc/33/85/38/182338538.db2.gz FNQYSEMHLJQCMG-LJQANCHMSA-N 1 0 314.429 2.151 40 0 DEABRO Cc1ccccc1C[NH+]1CCC(C(=O)N2CCOCC2)CC1 ZINC000039755219 183021744 /nfs/dbraw/zinc/02/17/44/183021744.db2.gz XVJAZEDJHGYLLX-UHFFFAOYSA-N 1 0 302.418 2.066 40 0 DEABRO COc1ccc(C(=O)NCCC2CC[NH+](C)CC2)cc1OC ZINC000156367564 197107837 /nfs/dbraw/zinc/10/78/37/197107837.db2.gz IPLWPAZCHPQUOU-UHFFFAOYSA-N 1 0 306.406 2.166 40 0 DEABRO COc1ccc([C@@H]2[C@H]([NH3+])[C@H]2S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000242574919 257120241 /nfs/dbraw/zinc/12/02/41/257120241.db2.gz NJLMFCVZIITXAR-IKGGRYGDSA-N 1 0 317.410 2.271 40 0 DEABRO Brc1cncc(-c2nc([C@@H]3CCC[NH2+]C3)no2)c1 ZINC000062256943 257129272 /nfs/dbraw/zinc/12/92/72/257129272.db2.gz RTMYWEGRNWQTOD-MRVPVSSYSA-N 1 0 309.167 2.361 40 0 DEABRO OCC[N@@H+]1CCC[C@@H](c2nccnc2-c2ccc(F)cc2)C1 ZINC000072343737 401708935 /nfs/dbraw/zinc/70/89/35/401708935.db2.gz FJFHBKGXFIOJLX-CQSZACIVSA-N 1 0 301.365 2.454 40 0 DEABRO C[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CC(c3ccc(Cl)cc3)=NO2)C1 ZINC000012195123 401781061 /nfs/dbraw/zinc/78/10/61/401781061.db2.gz PNVVYSSGQSRTLM-ZFWWWQNUSA-N 1 0 321.808 2.043 40 0 DEABRO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1cnc(N2CCCCC2)nc1 ZINC000019575196 401822238 /nfs/dbraw/zinc/82/22/38/401822238.db2.gz VGTHMCIEADFXIZ-NVXWUHKLSA-N 1 0 315.465 2.135 40 0 DEABRO CC[C@@H](OC[C@H](O)CN1CC[NH+](CC)CC1)c1ccccc1 ZINC000022030791 401826386 /nfs/dbraw/zinc/82/63/86/401826386.db2.gz VSEBAVWJBVADMN-QZTJIDSGSA-N 1 0 306.450 2.153 40 0 DEABRO COc1cc(C[NH2+]C(C)(C)C)c(Cl)cc1OCC(N)=O ZINC000036612311 401905877 /nfs/dbraw/zinc/90/58/77/401905877.db2.gz PMKVEEHSKXABDN-UHFFFAOYSA-N 1 0 300.786 2.101 40 0 DEABRO c1coc(C[N@H+]2C[C@@H]3COC[C@]3(COCc3cccnc3)C2)c1 ZINC000096108863 402059666 /nfs/dbraw/zinc/05/96/66/402059666.db2.gz JVJRLCZMOXQCOC-SJLPKXTDSA-N 1 0 314.385 2.340 40 0 DEABRO Cn1cc(CN2C[C@H]3C[NH+](Cc4cccc(F)c4)C[C@@H]3C2)cn1 ZINC000096110649 402060416 /nfs/dbraw/zinc/06/04/16/402060416.db2.gz VKKQHANJDGATJF-IAGOWNOFSA-N 1 0 314.408 2.123 40 0 DEABRO COc1ccc(C[NH2+]C[C@H]2COCc3nc4ccccc4n32)cn1 ZINC000096112715 402060491 /nfs/dbraw/zinc/06/04/91/402060491.db2.gz AIQGTMBVOFGPNA-AWEZNQCLSA-N 1 0 324.384 2.301 40 0 biogenic,in-vitro DEABRO Cc1ccnc(OC[C@@]23CCO[C@@H]2CC[N@@H+](C2CCC2)C3)n1 ZINC000096110465 402060568 /nfs/dbraw/zinc/06/05/68/402060568.db2.gz BCFXBKUBUSDVGG-WBVHZDCISA-N 1 0 303.406 2.197 40 0 DEABRO O=C([C@H]1COC[C@H]2C[N@@H+](C3CCCC3)C[C@H]21)N1CCC(F)CC1 ZINC000096040784 402049125 /nfs/dbraw/zinc/04/91/25/402049125.db2.gz AALJWCHVSQNEQH-XYPHTWIQSA-N 1 0 324.440 2.084 40 0 DEABRO Cc1nc([C@H]2C[C@@H]3CC[N@H+](Cc4scnc4C)C[C@H]3O2)no1 ZINC000096046194 402050422 /nfs/dbraw/zinc/05/04/22/402050422.db2.gz GVZFWEKYJVRGIX-YNEHKIRRSA-N 1 0 320.418 2.495 40 0 DEABRO Cn1cc(N2CC[C@]3(CCC[N@H+](Cc4ccco4)C3)C2=O)cn1 ZINC000096048776 402050934 /nfs/dbraw/zinc/05/09/34/402050934.db2.gz UXBHKTUFCMRIBR-KRWDZBQOSA-N 1 0 314.389 2.032 40 0 DEABRO Cn1cc(C[NH+]2CCC3(C[C@@H](c4cccnc4)CO3)CC2)cn1 ZINC000096047775 402051312 /nfs/dbraw/zinc/05/13/12/402051312.db2.gz QTCNDROZUHLWOC-QGZVFWFLSA-N 1 0 312.417 2.354 40 0 DEABRO Cc1noc(C)c1CN1C[C@@]2(CC[N@H+](CC3CC3)C2)CC1=O ZINC000096050958 402051591 /nfs/dbraw/zinc/05/15/91/402051591.db2.gz CKRPMCWRJYMXJF-KRWDZBQOSA-N 1 0 303.406 2.126 40 0 DEABRO O=C1[C@H]2C[N@H+](CC3CCOCC3)C[C@@H]2CN1c1ccccc1 ZINC000096053637 402052031 /nfs/dbraw/zinc/05/20/31/402052031.db2.gz FKWLDJUCPWYZAJ-WBVHZDCISA-N 1 0 300.402 2.008 40 0 DEABRO Cc1ccc(C[N@H+]2CC[C@H]3O[C@@H](C(=O)N(C)C)CC[C@H]32)s1 ZINC000096057470 402053248 /nfs/dbraw/zinc/05/32/48/402053248.db2.gz GUPGIOWPJQVQDN-RBSFLKMASA-N 1 0 308.447 2.267 40 0 DEABRO O=C([C@H]1CCC2(CC[NH+](Cc3ccco3)CC2)O1)N1CCCC1 ZINC000096061220 402054867 /nfs/dbraw/zinc/05/48/67/402054867.db2.gz KQAUZWPGFLSHFW-MRXNPFEDSA-N 1 0 318.417 2.416 40 0 DEABRO CN(C)C(=O)[C@@H]1CCC2(CC[NH+](Cc3ccc(F)cc3)CC2)O1 ZINC000096061134 402055108 /nfs/dbraw/zinc/05/51/08/402055108.db2.gz CGOJBMXTSOEDIP-INIZCTEOSA-N 1 0 320.408 2.428 40 0 DEABRO COC[C@@]12CCCO[C@@H]1CC[N@H+](Cc1ccc3c(c1)OCO3)C2 ZINC000096064980 402055914 /nfs/dbraw/zinc/05/59/14/402055914.db2.gz IHXWMLCYEYRLKV-MSOLQXFVSA-N 1 0 319.401 2.433 40 0 DEABRO CC[C@H]1[N@H+](Cc2ccc3c(c2)OCO3)CCC[C@]12CCC(=O)N2 ZINC000096070413 402056627 /nfs/dbraw/zinc/05/66/27/402056627.db2.gz IRCZAABQTLDAET-AEFFLSMTSA-N 1 0 316.401 2.439 40 0 DEABRO COCCN1C(=O)CCC12CCC([NH2+]Cc1nccs1)CC2 ZINC000096075837 402057148 /nfs/dbraw/zinc/05/71/48/402057148.db2.gz UMVVZQSHAOLSBM-UHFFFAOYSA-N 1 0 323.462 2.183 40 0 DEABRO O=C(c1cscn1)N1C[C@H]2C[NH+](CC3CCCC3)C[C@@H]2C1 ZINC000096080971 402057211 /nfs/dbraw/zinc/05/72/11/402057211.db2.gz YDEFBYREERBPKZ-ZIAGYGMSSA-N 1 0 305.447 2.337 40 0 DEABRO O=C(N[C@H]1CCCc2ccccc21)C1=NOC2(C1)CC[NH2+]CC2 ZINC000096088455 402057556 /nfs/dbraw/zinc/05/75/56/402057556.db2.gz WALPSNIDTLAWKR-HNNXBMFYSA-N 1 0 313.401 2.079 40 0 DEABRO Cc1n[nH]c(C[C@H]2OC[C@H]3C[N@H+](Cc4cccs4)CC[C@H]32)n1 ZINC000096206664 402069594 /nfs/dbraw/zinc/06/95/94/402069594.db2.gz OQRMGSSOJOGTFJ-BPLDGKMQSA-N 1 0 318.446 2.254 40 0 DEABRO COC[C@H]1CC2(C[N@@H+]1C(C)C)CCN(C(=O)c1cocn1)CC2 ZINC000096215569 402070899 /nfs/dbraw/zinc/07/08/99/402070899.db2.gz NCFKHWPFYODBCU-CQSZACIVSA-N 1 0 321.421 2.026 40 0 DEABRO Cc1cccc(C[N@H+]2CC[C@@H]3[C@@H]2CCN3C(=O)NC(C)C)n1 ZINC000096184770 402065169 /nfs/dbraw/zinc/06/51/69/402065169.db2.gz WGWOFAQODLDBNN-JKSUJKDBSA-N 1 0 302.422 2.157 40 0 DEABRO Cn1cc(C[NH+]2CCC3(CC2)NC(=O)C[C@H]3c2ccccc2)cn1 ZINC000096199583 402067891 /nfs/dbraw/zinc/06/78/91/402067891.db2.gz WZJIIUIIQJFROD-KRWDZBQOSA-N 1 0 324.428 2.058 40 0 DEABRO CO[C@@H]1CCN(CC2CC2)[C@@H]2C[N@H+](Cc3ccncc3)C[C@@H]21 ZINC000096205894 402068675 /nfs/dbraw/zinc/06/86/75/402068675.db2.gz QPRPFIMMKKWKRV-RCCFBDPRSA-N 1 0 301.434 2.013 40 0 DEABRO CCN1CC[C@]2(C[N@@H+]([C@H]3CCOC3)C[C@H]2c2ccccc2)C1=O ZINC000096201878 402068788 /nfs/dbraw/zinc/06/87/88/402068788.db2.gz WOKICLZRSPNFRY-JENIJYKNSA-N 1 0 314.429 2.113 40 0 DEABRO COc1cccnc1NC(=S)NCCC[N@@H+]1CCC[C@@H](C)C1 ZINC000225738348 402323029 /nfs/dbraw/zinc/32/30/29/402323029.db2.gz SBMRZNPYYUEMQD-CYBMUJFWSA-N 1 0 322.478 2.499 40 0 DEABRO COC(=O)c1cccc(NC(=S)NC2CC[NH+](C)CC2)c1C ZINC000225799911 402323805 /nfs/dbraw/zinc/32/38/05/402323805.db2.gz JSILBARJHDOJCB-UHFFFAOYSA-N 1 0 321.446 2.162 40 0 DEABRO Fc1cccnc1O[C@H]1CSC2(C[NH+](C3CCOCC3)C2)C1 ZINC000247538565 402571827 /nfs/dbraw/zinc/57/18/27/402571827.db2.gz RJJAJWGQDAYBEX-CYBMUJFWSA-N 1 0 324.421 2.338 40 0 DEABRO c1ncn2c1CN(CC1CCOCC1)C[C@@H]2C[NH+]1CCCCC1 ZINC000253477672 296649165 /nfs/dbraw/zinc/64/91/65/296649165.db2.gz GZJFUPXZGBLLOB-SFHVURJKSA-N 1 0 318.465 2.152 40 0 DEABRO CN(CC[NH3+])[C@H]1CCCC[C@H]1NC(=O)OCc1ccccc1 ZINC000252517592 402657860 /nfs/dbraw/zinc/65/78/60/402657860.db2.gz MEDSNDTYPPVGSY-CVEARBPZSA-N 1 0 305.422 2.115 40 0 DEABRO CCN(C(=O)[C@H](C)[NH3+])[C@H]1CC[C@H](NC(=O)OC(C)(C)C)CC1 ZINC000252518068 402658047 /nfs/dbraw/zinc/65/80/47/402658047.db2.gz YZKQBYNYTQCHEH-AVGNSLFASA-N 1 0 313.442 2.018 40 0 DEABRO Cc1nc[nH]c1C[N@H+]1CCC[C@@H](c2ccc3cnn(C)c3n2)C1 ZINC000257208259 402703324 /nfs/dbraw/zinc/70/33/24/402703324.db2.gz BLJFNYKLKUHVLD-CQSZACIVSA-N 1 0 310.405 2.379 40 0 DEABRO CCn1nc(C)c(C[N@@H+]2CC[C@@]3(CCCO3)[C@@H](OC)C2)c1C ZINC000257210952 402703967 /nfs/dbraw/zinc/70/39/67/402703967.db2.gz BWWBYGZWKXFANV-IRXDYDNUSA-N 1 0 307.438 2.290 40 0 DEABRO Cc1cnc(C2(C)CC[NH+](CC(=O)N3CCCC3)CC2)s1 ZINC000257211270 402703984 /nfs/dbraw/zinc/70/39/84/402703984.db2.gz BYFOMLIHXMIDPN-UHFFFAOYSA-N 1 0 307.463 2.427 40 0 DEABRO COc1cc(C[N@H+]2C[C@H](OC)[C@]3(CCCO3)C2)cc(OC)c1 ZINC000257231530 402706253 /nfs/dbraw/zinc/70/62/53/402706253.db2.gz GHDRKYKAZQISTE-IRXDYDNUSA-N 1 0 307.390 2.084 40 0 DEABRO Cc1nc(C)c(CC(=O)N2CCC[C@]3(C)[NH2+]CCC[C@@H]23)s1 ZINC000257232411 402706477 /nfs/dbraw/zinc/70/64/77/402706477.db2.gz GKTLQUATVNDWTA-ZBFHGGJFSA-N 1 0 307.463 2.436 40 0 DEABRO Cc1ccc(CC(=O)NCc2c[nH]c([C@@H]3CC[N@@H+](C)C3)n2)s1 ZINC000257237761 402706916 /nfs/dbraw/zinc/70/69/16/402706916.db2.gz HIBDPCIJNHIGPR-GFCCVEGCSA-N 1 0 318.446 2.058 40 0 DEABRO CNc1ccc(C[C@H]2CCC[N@H+](Cc3cnn(C)c3C)C2)nn1 ZINC000257250490 402709027 /nfs/dbraw/zinc/70/90/27/402709027.db2.gz JMSQAWHTGKQUII-CQSZACIVSA-N 1 0 314.437 2.015 40 0 DEABRO CCCCc1cc(C(=O)N2CCC[C@]3(C)[NH2+]CCC[C@@H]23)[nH]n1 ZINC000257260120 402709849 /nfs/dbraw/zinc/70/98/49/402709849.db2.gz LBJOFYFGELDOPJ-WBVHZDCISA-N 1 0 304.438 2.499 40 0 DEABRO Nc1nc([C@@H]2CCC[N@@H+]2C2CCOCC2)cc(C(F)(F)F)n1 ZINC000257310223 402712000 /nfs/dbraw/zinc/71/20/00/402712000.db2.gz UEFUPQOGJFGBJL-NSHDSACASA-N 1 0 316.327 2.394 40 0 DEABRO c1cc2n(c1)C[C@H](Oc1cccnc1)C[N@@H+](C1CCOCC1)C2 ZINC000253588687 402669298 /nfs/dbraw/zinc/66/92/98/402669298.db2.gz ODYUUNHPZHDVPT-SFHVURJKSA-N 1 0 313.401 2.325 40 0 DEABRO CC(C)(C)OC(=O)N[C@@H]1CCN([C@H](C[NH3+])c2cccc(F)c2)C1 ZINC000256007467 402699480 /nfs/dbraw/zinc/69/94/80/402699480.db2.gz VRYSCJWEGYNXBY-HUUCEWRRSA-N 1 0 323.412 2.425 40 0 DEABRO Cn1cc(C(=O)Nc2ccc(F)cc2)c(CC2CC[NH2+]CC2)n1 ZINC000257202089 402702648 /nfs/dbraw/zinc/70/26/48/402702648.db2.gz AKJWTYXTTZVWJT-UHFFFAOYSA-N 1 0 316.380 2.354 40 0 DEABRO COc1ccc(CC(=O)N2CC[NH2+]C[C@H]2c2ccccc2)cc1 ZINC000313339689 403982944 /nfs/dbraw/zinc/98/29/44/403982944.db2.gz FQXAHPGYZZWMPO-SFHVURJKSA-N 1 0 310.397 2.411 40 0 DEABRO Cc1ccc2c(c1)nc1n2[C@@H](C[NH2+]C2CCOCC2)COC1 ZINC000096112811 274781384 /nfs/dbraw/zinc/78/13/84/274781384.db2.gz XFHZCOKVJKLGPB-AWEZNQCLSA-N 1 0 301.390 2.185 40 0 biogenic,in-vitro DEABRO c1ccc(C[NH+]2CCC3(CCN(c4ncccn4)C3)CC2)nc1 ZINC000096046598 275066869 /nfs/dbraw/zinc/06/68/69/275066869.db2.gz OTXDSLBWZUPUOP-UHFFFAOYSA-N 1 0 309.417 2.364 40 0 DEABRO C[N@@H+]1CC[C@@H](OC(=O)[C@](O)(c2ccccc2)C2CCCC2)C1 ZINC000003954478 277138944 /nfs/dbraw/zinc/13/89/44/277138944.db2.gz OVGMKPGXRHJNKJ-AEFFLSMTSA-N 1 0 303.402 2.312 40 0 DEABRO C[NH+](C)C[C@H]1COCCN1C(=O)C1(c2cccs2)CCCC1 ZINC000085470201 289218490 /nfs/dbraw/zinc/21/84/90/289218490.db2.gz CADBQSGMSLXANG-AWEZNQCLSA-N 1 0 322.474 2.349 40 0 DEABRO [NH3+]C[C@@H]1CC[C@@H](NC(=O)N2CCCN(c3ccccc3)CC2)C1 ZINC000583984485 331515153 /nfs/dbraw/zinc/51/51/53/331515153.db2.gz QEODGPLGYHZOEK-HZPDHXFCSA-N 1 0 316.449 2.036 40 0 DEABRO CC(C)N(C[C@H]1CCC[N@@H+]1CCO)C(=O)OCc1ccccc1 ZINC000079411126 185169819 /nfs/dbraw/zinc/16/98/19/185169819.db2.gz DHKYQQHCVPCWDL-QGZVFWFLSA-N 1 0 320.433 2.490 40 0 DEABRO O=C(OCc1ccccc1)N(C1CC1)C1CC[NH+](CCO)CC1 ZINC000079411272 185170082 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c1ccc(CN2CCO[C@H]3[C@@H](Oc4ccccn4)CC[C@@H]32)nc1 ZINC000097953760 402133489 /nfs/dbraw/zinc/13/34/89/402133489.db2.gz JSLJOEFDMGOOJA-XYJFISCASA-N 1 0 311.385 2.287 40 0 DEABRO Cc1cccnc1C[N@H+]1CCC2(CC(NC(=O)N(C)C)C2)C1 ZINC000108529948 402256325 /nfs/dbraw/zinc/25/63/25/402256325.db2.gz NISXABAQOIERCV-UHFFFAOYSA-N 1 0 302.422 2.016 40 0 DEABRO [NH3+]CCNc1ccnc2ccc(I)cc21 ZINC000222679186 402307653 /nfs/dbraw/zinc/30/76/53/402307653.db2.gz BUNCTBMQEKYVFC-UHFFFAOYSA-N 1 0 313.142 2.210 40 0 DEABRO C[NH+](C)CCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1ccco1 ZINC000223252131 402310340 /nfs/dbraw/zinc/31/03/40/402310340.db2.gz ODNXWUXNBOGPDB-GJZGRUSLSA-N 1 0 316.430 2.209 40 0 DEABRO Fc1cccnc1O[C@@H]1CSC2(C[NH+](C3CCOCC3)C2)C1 ZINC000247538572 402571727 /nfs/dbraw/zinc/57/17/27/402571727.db2.gz RJJAJWGQDAYBEX-ZDUSSCGKSA-N 1 0 324.421 2.338 40 0 DEABRO Cc1cccc(CN2CC3(C2)CC[C@@H](C[NH+]2CCCC2)CO3)n1 ZINC000247886684 402577455 /nfs/dbraw/zinc/57/74/55/402577455.db2.gz TYSYNEKNGPXNIQ-KRWDZBQOSA-N 1 0 315.461 2.467 40 0 DEABRO Cc1ccc(C(=O)N[C@@H]2CCC[C@@H]([NH+]3CCCC3)[C@@H]2O)s1 ZINC000257218817 402704579 /nfs/dbraw/zinc/70/45/79/402704579.db2.gz DENFMERTMGESSS-UMVBOHGHSA-N 1 0 308.447 2.164 40 0 DEABRO CCc1nc(C)c(C[NH+]2CCC3(CC2)OCCC[C@@H]3OC)[nH]1 ZINC000257222415 402704914 /nfs/dbraw/zinc/70/49/14/402704914.db2.gz DTEYPLCUOFCMCJ-HNNXBMFYSA-N 1 0 307.438 2.441 40 0 DEABRO Cc1cc(N(C)C)cc([C@@H]2CN(c3ccnc(C)n3)CCO2)[nH+]1 ZINC000257250886 402708913 /nfs/dbraw/zinc/70/89/13/402708913.db2.gz JOLFOHIKPXRFNQ-INIZCTEOSA-N 1 0 313.405 2.132 40 0 DEABRO Cc1cc(C(=O)N2CC[C@H](c3cc(N(C)C)cc(C)[nH+]3)C2)no1 ZINC000257268946 402710459 /nfs/dbraw/zinc/71/04/59/402710459.db2.gz MNXAAQANZJTDJX-ZDUSSCGKSA-N 1 0 314.389 2.382 40 0 DEABRO CC(C)Cc1cc(C(=O)N2CC[C@H]3[NH2+]CCCC[C@@H]3C2)n(C)n1 ZINC000257267726 402710679 /nfs/dbraw/zinc/71/06/79/402710679.db2.gz MINYOKFDSQQQSC-GDBMZVCRSA-N 1 0 318.465 2.223 40 0 DEABRO COc1ccccc1OCC(=O)N1CCC[C@]2(C)[NH2+]CCC[C@@H]12 ZINC000257271645 402711076 /nfs/dbraw/zinc/71/10/76/402711076.db2.gz MZEGUYWNIWLGTB-AEFFLSMTSA-N 1 0 318.417 2.207 40 0 DEABRO CC(C)[C@@H]1COC(=O)N1c1cncc(C2CC[NH+](C)CC2)n1 ZINC000257325818 402712145 /nfs/dbraw/zinc/71/21/45/402712145.db2.gz WUOFMKVPQJSFRT-AWEZNQCLSA-N 1 0 304.394 2.267 40 0 DEABRO c1cncc(COC[C@@H]2CC[C@H]3[C@H]2OCC[N@@H+]3CC2CC2)c1 ZINC000253591474 402669222 /nfs/dbraw/zinc/66/92/22/402669222.db2.gz NWFXXZXNVXZXAQ-BZSNNMDCSA-N 1 0 302.418 2.488 40 0 DEABRO Cc1c2ccccc2oc1C(=O)N1C[C@@H](O)[C@H]([NH+]2CCCC2)C1 ZINC000257201652 402702607 /nfs/dbraw/zinc/70/26/07/402702607.db2.gz AILGKYFWTSSKQQ-HUUCEWRRSA-N 1 0 314.385 2.022 40 0 DEABRO CC[C@H](C)Nc1nc(NCCc2ccncc2)cc(C2CC2)[nH+]1 ZINC000329071257 404222181 /nfs/dbraw/zinc/22/21/81/404222181.db2.gz ZOCWTQFHBGOFDC-ZDUSSCGKSA-N 1 0 311.433 2.458 40 0 DEABRO Cc1nc(N2CCc3cc(Cl)ccc3C2)cc(NCCO)[nH+]1 ZINC000328965635 404184403 /nfs/dbraw/zinc/18/44/03/404184403.db2.gz CEPRDHLZFDQVQK-UHFFFAOYSA-N 1 0 318.808 2.405 40 0 DEABRO CC(C)[C@@H]1NC(=[NH2+])NC(=N)N1c1ccc(Cl)c(Cl)c1 ZINC000001722912 273549993 /nfs/dbraw/zinc/54/99/93/273549993.db2.gz SNLGCLVYDGNJFD-SNVBAGLBSA-N 1 0 300.193 2.425 40 0 DEABRO Cc1cc(C)cc(-n2ncc3c2ncnc3N2CC[NH+](C)CC2)c1 ZINC000009627448 280413776 /nfs/dbraw/zinc/41/37/76/280413776.db2.gz VBQBTRWLRMUGJT-UHFFFAOYSA-N 1 0 322.416 2.184 40 0 DEABRO Cc1nc2c(c(=O)[nH]1)CC[N@H+](Cc1ccc(Cl)cc1)CC2 ZINC000019286435 282007424 /nfs/dbraw/zinc/00/74/24/282007424.db2.gz CMEFIJFUMHJTQY-UHFFFAOYSA-N 1 0 303.793 2.333 40 0 DEABRO CC(C)(C)c1cc(CC2([NH2+][C@H]3CC[C@@H](CO)CC3)COC2)no1 ZINC000252675663 526753154 /nfs/dbraw/zinc/75/31/54/526753154.db2.gz UQBOTIUWMHIONT-OKILXGFUSA-N 1 0 322.449 2.424 40 0 biogenic,in-vitro DEABRO CCCN1CCN(C(=O)c2ccc(C[NH+]3CCCC3)o2)CC1 ZINC000027984368 1078180888 /nfs/dbraw/zinc/18/08/88/1078180888.db2.gz NNXXXFXFKAXQME-UHFFFAOYSA-N 1 0 305.422 2.043 40 0 DEABRO CC(C)N(C(=O)OCc1ccccc1)[C@@H]1CCCN(CC[NH3+])C1 ZINC000079411679 185169847 /nfs/dbraw/zinc/16/98/47/185169847.db2.gz DRJBOWQIQIWADI-QGZVFWFLSA-N 1 0 319.449 2.457 40 0 DEABRO CC(C)N(C[C@@H]1CC[N@H+](CCO)C1)C(=O)OCc1ccccc1 ZINC000079411132 185169929 /nfs/dbraw/zinc/16/99/29/185169929.db2.gz DYPVAJXRYQKNMC-QGZVFWFLSA-N 1 0 320.433 2.348 40 0 DEABRO Cc1nccc([C@@H]2CCCN(C(=O)C[N@@H+](C)C3CCCC3)C2)n1 ZINC000257210804 282191639 /nfs/dbraw/zinc/19/16/39/282191639.db2.gz BWGHYNDVKPGYBD-OAHLLOKOSA-N 1 0 316.449 2.365 40 0 DEABRO CN(C)c1ncc([C@@H]2Nc3ccccc3C3=[NH+]CCCN32)cn1 ZINC000012144194 282323090 /nfs/dbraw/zinc/32/30/90/282323090.db2.gz YZAOXJUJCOKNNZ-OAHLLOKOSA-N 1 0 308.389 2.119 40 0 DEABRO Cc1occc1C(=O)N1CCC2(CC1)C[C@@H]([NH+](C)C)CCO2 ZINC000108534464 185520633 /nfs/dbraw/zinc/52/06/33/185520633.db2.gz SFSAPDPFZABWKJ-AWEZNQCLSA-N 1 0 306.406 2.303 40 0 DEABRO COc1cccc(OC)c1C(=O)NCCC1CC[NH+](C)CC1 ZINC000171268963 197908760 /nfs/dbraw/zinc/90/87/60/197908760.db2.gz CEGXJWFICFMJSG-UHFFFAOYSA-N 1 0 306.406 2.166 40 0 DEABRO O=c1[nH]c(-c2cccnc2)nc2c1C[N@H+](C[C@@H]1CCC=CO1)CC2 ZINC000072339856 191126189 /nfs/dbraw/zinc/12/61/89/191126189.db2.gz LULAFANZNNECHK-AWEZNQCLSA-N 1 0 324.384 2.295 40 0 DEABRO Cn1cccc1C[N@@H+]1CCc2nc(-c3cccnc3)[nH]c(=O)c2C1 ZINC000072339852 191126416 /nfs/dbraw/zinc/12/64/16/191126416.db2.gz YLYQFEUBIRZANN-UHFFFAOYSA-N 1 0 321.384 2.141 40 0 DEABRO Cc1csc(Nc2cccc([C@@H]3CCCN3C(=O)C[NH3+])n2)n1 ZINC000072382972 191143232 /nfs/dbraw/zinc/14/32/32/191143232.db2.gz AUGLQYRMLZXOJJ-LBPRGKRZSA-N 1 0 317.418 2.212 40 0 DEABRO C[N@@H+]1CCC[C@H](C(=O)Nc2ccccc2C(=O)NC(C)(C)C)C1 ZINC000073034463 191272272 /nfs/dbraw/zinc/27/22/72/191272272.db2.gz KSUWGJLLSBNCFC-ZDUSSCGKSA-N 1 0 317.433 2.495 40 0 DEABRO CCNC(=O)[C@]1(Cc2cc(-c3ccc(C)cc3)no2)CCC[NH2+]1 ZINC000019696497 354044662 /nfs/dbraw/zinc/04/46/62/354044662.db2.gz QNBVALBRHPLGSO-GOSISDBHSA-N 1 0 313.401 2.451 40 0 DEABRO C[NH+]1CCC(CC(=O)N2CCN(c3ccc(F)cc3)CC2)CC1 ZINC000074920938 191387806 /nfs/dbraw/zinc/38/78/06/191387806.db2.gz XUTIOHAAKNDUPU-UHFFFAOYSA-N 1 0 319.424 2.206 40 0 DEABRO CC(=O)CC[C@]1(c2cc[n+](C)cc2)CC[C@@](C)(O)[C@H](C(C)=O)C1 ZINC000005125313 181206306 /nfs/dbraw/zinc/20/63/06/181206306.db2.gz HIKLFVACCNRXKO-OTWHNJEPSA-N 1 0 318.437 2.258 40 0 DEABRO CCOC(=O)c1cc[n+](Cc2cccc3nsnc32)cc1 ZINC000005796962 181285169 /nfs/dbraw/zinc/28/51/69/181285169.db2.gz VGVNEWIUTMKOFS-UHFFFAOYSA-N 1 0 300.363 2.204 40 0 DEABRO O=C(C[C@@H]1Cn2cccc2C[N@@H+](C2CCC2)C1)N1CCCO1 ZINC000585099096 357333333 /nfs/dbraw/zinc/33/33/33/357333333.db2.gz LWJSIDOGLGQEDP-CQSZACIVSA-N 1 0 303.406 2.026 40 0 DEABRO Cc1n[nH]c(C)c1C[N@@H+]1CC[C@@](O)(COc2cccc(C)c2)C1 ZINC000585275378 357341955 /nfs/dbraw/zinc/34/19/55/357341955.db2.gz AXYXHOLCSDZJKD-SFHVURJKSA-N 1 0 315.417 2.351 40 0 DEABRO Cc1cccnc1C[N@@H+]1C[C@H](c2ccccc2C)[C@@H](O)[C@H]1CO ZINC000585294552 357345817 /nfs/dbraw/zinc/34/58/17/357345817.db2.gz IHKREFBGKANHJQ-BHIYHBOVSA-N 1 0 312.413 2.020 40 0 DEABRO C[NH+](C)Cc1cncc2c1CCN(C(=O)Cc1cccs1)C2 ZINC000248138326 202724134 /nfs/dbraw/zinc/72/41/34/202724134.db2.gz SKHVFJXGFGUHJR-UHFFFAOYSA-N 1 0 315.442 2.332 40 0 DEABRO CC[C@H](Oc1ccc2c(c1)CCCC2)C(=O)NCC[NH+](C)C ZINC000224132321 201670215 /nfs/dbraw/zinc/67/02/15/201670215.db2.gz KUELMMZPNMBKMG-KRWDZBQOSA-N 1 0 304.434 2.401 40 0 DEABRO Cc1noc(C)c1-c1ccc([C@@H]2CCC[N@@H+]2CCC(N)=O)nc1 ZINC000257279012 203008069 /nfs/dbraw/zinc/00/80/69/203008069.db2.gz OEPMMRSLTMVWDO-HNNXBMFYSA-N 1 0 314.389 2.366 40 0 DEABRO COc1ncccc1C(=O)N1CCC[C@@]2(C)[C@@H]1CCC[N@@H+]2C ZINC000257317432 203040838 /nfs/dbraw/zinc/04/08/38/203040838.db2.gz VJSXMYXLPRWHAX-YOEHRIQHSA-N 1 0 303.406 2.179 40 0 DEABRO CC(C)(C)c1cc(C(=O)N2C[C@@H]3C[C@@]4(C)[C@H](CCC[C@@H]24)[NH2+]3)[nH]n1 ZINC000257317551 203041130 /nfs/dbraw/zinc/04/11/30/203041130.db2.gz VKFXWHNMQHWVFW-VZBWRMENSA-N 1 0 316.449 2.452 40 0 DEABRO CC[NH+](CC)CCCNCc1cc2cc(OC)ccc2[nH]c1=O ZINC000012706453 181789468 /nfs/dbraw/zinc/78/94/68/181789468.db2.gz CJIFPDKBLMYYAM-UHFFFAOYSA-N 1 0 317.433 2.358 40 0 DEABRO Cc1cnc(-c2nnc([C@@H]3CC[N@H+](Cc4ccncc4)C3)o2)cn1 ZINC000019239197 182111103 /nfs/dbraw/zinc/11/11/03/182111103.db2.gz XLBNGUHBYZDEDS-CQSZACIVSA-N 1 0 322.372 2.220 40 0 DEABRO OC1(Cn2ccc3ncccc32)CC[NH+](Cc2cccnc2)CC1 ZINC000019338890 182117166 /nfs/dbraw/zinc/11/71/66/182117166.db2.gz GRCRAXONBDDXJG-UHFFFAOYSA-N 1 0 322.412 2.458 40 0 DEABRO C[C@H]1C[N@@H+]2C[C@H](O)C[C@H]2CN1Cc1ccc(C(F)(F)F)cc1 ZINC000019575902 182131124 /nfs/dbraw/zinc/13/11/24/182131124.db2.gz MHFAOXYDHIKCLD-TUKIKUTGSA-N 1 0 314.351 2.345 40 0 DEABRO COc1ccc(CN2C[C@@H]3CCC[N@@H+]3C[C@H]2C)c(OC)c1OC ZINC000019575100 182131675 /nfs/dbraw/zinc/13/16/75/182131675.db2.gz WFZFKCYFUDZFMR-HIFRSBDPSA-N 1 0 320.433 2.381 40 0 DEABRO CC1(C)O[C@H]2O[C@H](C[N@@H+]3CCC[C@H]3c3ccccc3)[C@H](O)[C@H]2O1 ZINC000022115924 182309118 /nfs/dbraw/zinc/30/91/18/182309118.db2.gz FXRSTNMDEDRDHF-DMRKSPOLSA-N 1 0 319.401 2.061 40 0 DEABRO [NH3+]C[C@H]1[C@H](S(=O)(=O)c2ccccc2)[C@@H]1c1cccc(F)c1 ZINC000242648316 257120486 /nfs/dbraw/zinc/12/04/86/257120486.db2.gz QRVWNRYQMJGWOY-OAGGEKHMSA-N 1 0 305.374 2.340 40 0 DEABRO CC(C)(C)OC(=O)N1CCC[C@H]1[C@@](O)(C[NH3+])c1ccccc1 ZINC000072207998 257128340 /nfs/dbraw/zinc/12/83/40/257128340.db2.gz DBFWNSCDJLQVOI-WMLDXEAASA-N 1 0 306.406 2.232 40 0 DEABRO O=c1[nH]c(-c2cnccn2)nc2c1C[N@H+](C[C@H]1CC=CCC1)CC2 ZINC000013268139 285399951 /nfs/dbraw/zinc/39/99/51/285399951.db2.gz NXSCWPYZPIHELR-ZDUSSCGKSA-N 1 0 323.400 2.354 40 0 DEABRO CCC(C)(C)[NH+]1CCN(C(=O)NCCc2cc(C)no2)CC1 ZINC000685938884 542767836 /nfs/dbraw/zinc/76/78/36/542767836.db2.gz YSEOCVDNLDFMIE-UHFFFAOYSA-N 1 0 308.426 2.041 40 0 DEABRO COc1ccc(OCCN(C)C(=O)[C@@H]2[NH2+]CCCC2(C)C)cc1 ZINC000261931191 145243409 /nfs/dbraw/zinc/24/34/09/145243409.db2.gz SUUSEGZUBHHVQJ-INIZCTEOSA-N 1 0 320.433 2.311 40 0 DEABRO Cc1n(C)c2ccccc2[n+]1C[C@H](O)COc1ccc(F)cc1 ZINC000000316277 401694575 /nfs/dbraw/zinc/69/45/75/401694575.db2.gz DZFPQKNJTWSXRM-HNNXBMFYSA-N 1 0 315.368 2.353 40 0 DEABRO NN=c1nc(NCc2ccccc2)[nH]c(NCc2ccccc2)n1 ZINC000001882404 401711159 /nfs/dbraw/zinc/71/11/59/401711159.db2.gz MGGFTCWEJVDMIC-UHFFFAOYSA-N 1 0 321.388 2.381 40 0 DEABRO COc1ccc(CC(=O)N(C)CC[NH+]2CCCCC2)cc1C ZINC000012360937 401784074 /nfs/dbraw/zinc/78/40/74/401784074.db2.gz UUAUHYFRVLQZKZ-UHFFFAOYSA-N 1 0 304.434 2.490 40 0 DEABRO CCCn1cc2c(n1)nc(N1CC[NH2+]CC1)cc2C(F)(F)F ZINC000012398903 401785095 /nfs/dbraw/zinc/78/50/95/401785095.db2.gz ONNBONMUNQLUOS-UHFFFAOYSA-N 1 0 313.327 2.270 40 0 DEABRO [NH3+]CCNc1c2c(nc3cc(-c4ccc(F)cc4)nn31)CCC2 ZINC000035315230 401899132 /nfs/dbraw/zinc/89/91/32/401899132.db2.gz ALOFXLNXRXJZCA-UHFFFAOYSA-N 1 0 311.364 2.395 40 0 DEABRO CC(C)OC[C@]12CCCO[C@@H]1CC[N@H+](Cc1cnn(C)c1)C2 ZINC000096040499 402048423 /nfs/dbraw/zinc/04/84/23/402048423.db2.gz NCVIWKLYIGJRTJ-IAGOWNOFSA-N 1 0 307.438 2.216 40 0 DEABRO Cc1noc(C)c1CN1CCO[C@H]2[C@H](OCC3CC3)CC[C@@H]21 ZINC000096041584 402048928 /nfs/dbraw/zinc/04/89/28/402048928.db2.gz YVAKUFSMNUGEIO-GVDBMIGSSA-N 1 0 306.406 2.450 40 0 DEABRO Cc1noc([C@H]2CC[C@@H]3[C@@H](CCN3Cc3nccs3)O2)n1 ZINC000096041070 402049001 /nfs/dbraw/zinc/04/90/01/402049001.db2.gz WPWMOVOUQVDDES-IJLUTSLNSA-N 1 0 306.391 2.329 40 0 DEABRO Cc1nccc([C@H]2C[C@@H]3CC[N@@H+](C4CCOCC4)C[C@H]3O2)n1 ZINC000096046170 402050212 /nfs/dbraw/zinc/05/02/12/402050212.db2.gz LHYULAZZBLZPBK-IAOVAPTHSA-N 1 0 303.406 2.116 40 0 DEABRO c1cnc(N2CCC3(C2)CC[NH+](CC2CCOCC2)CC3)nc1 ZINC000096046608 402050580 /nfs/dbraw/zinc/05/05/80/402050580.db2.gz OOTBXCBHZCISNU-UHFFFAOYSA-N 1 0 316.449 2.196 40 0 DEABRO c1cc(CN2CC[N@@H+]3C[C@H](OCc4cccnc4)C[C@H]3C2)co1 ZINC000096055029 402052503 /nfs/dbraw/zinc/05/25/03/402052503.db2.gz NJHFQNBCGMPLHH-ZWKOTPCHSA-N 1 0 313.401 2.150 40 0 DEABRO COc1ccc(C[N@H+]2C[C@H]3CN(c4ncccn4)C[C@H]3C2)cc1 ZINC000096053994 402052535 /nfs/dbraw/zinc/05/25/35/402052535.db2.gz SSFPKVYRMINHME-IYBDPMFKSA-N 1 0 310.401 2.053 40 0 DEABRO Cc1ccc(C[N@@H+]2CC[C@H]3OCC[C@@H](C(=O)NC4CC4)[C@@H]3C2)o1 ZINC000096058287 402053895 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CN(C)C(=O)COCC[C@H]1C[N@@H+](C2CCCC2)Cc2cccn21 ZINC000248031989 402580569 /nfs/dbraw/zinc/58/05/69/402580569.db2.gz UCEHEXXSBAGHDW-KRWDZBQOSA-N 1 0 319.449 2.282 40 0 DEABRO C[NH+](C)C[C@H]1CCC2(CN(C(=O)c3ccc(F)c(F)c3)C2)OC1 ZINC000248069342 402581182 /nfs/dbraw/zinc/58/11/82/402581182.db2.gz AQCIPILSGUUOLJ-GFCCVEGCSA-N 1 0 324.371 2.148 40 0 DEABRO Cc1nccc([C@H]2CCCN(C(=O)C[N@@H+](C)C3CCCC3)C2)n1 ZINC000257210803 402703567 /nfs/dbraw/zinc/70/35/67/402703567.db2.gz BWGHYNDVKPGYBD-HNNXBMFYSA-N 1 0 316.449 2.365 40 0 DEABRO Cc1nc2cc(C(=O)N3CC[C@H]4[NH2+]CCCC[C@H]4C3)ccc2[nH]1 ZINC000257215762 402703993 /nfs/dbraw/zinc/70/39/93/402703993.db2.gz CRNVVGNADQEMPK-LSDHHAIUSA-N 1 0 312.417 2.476 40 0 DEABRO CC(C)[N@@H+]1CCC[C@@H](Cc2cc(C(=O)N(C)C)ncn2)CC1 ZINC000257221709 402705213 /nfs/dbraw/zinc/70/52/13/402705213.db2.gz DQFANYUIMXQIIK-CQSZACIVSA-N 1 0 304.438 2.231 40 0 DEABRO O=C(c1cc2c([nH]c1=O)CCC2)N1CC[NH2+]C[C@H]1c1ccccc1 ZINC000257241658 402707639 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C[C@]12CN(Cc3ccccc3)C[C@H]1NC(=O)c1ccccc1[C@H]2[NH3+] ZINC000253591735 402669968 /nfs/dbraw/zinc/66/99/68/402669968.db2.gz TWXVMGOZCGGXHQ-GGPKGHCWSA-N 1 0 321.424 2.321 40 0 DEABRO Cc1nnccc1NC(=O)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000333507286 403768562 /nfs/dbraw/zinc/76/85/62/403768562.db2.gz DOFIXLWTODUNCI-CQSZACIVSA-N 1 0 303.410 2.125 40 0 DEABRO OCCNc1nc(Nc2ccc(F)cc2Cl)cc(C2CC2)n1 ZINC000328966203 404183801 /nfs/dbraw/zinc/18/38/01/404183801.db2.gz CILNYNZGFIMUBV-UHFFFAOYSA-N 1 0 322.771 2.138 40 0 DEABRO C[C@H]1Cc2ccccc2CN1c1cc(NCC[NH+](C)C)ncn1 ZINC000329023045 404205609 /nfs/dbraw/zinc/20/56/09/404205609.db2.gz ORFHOERUMUPGOZ-AWEZNQCLSA-N 1 0 311.433 2.401 40 0 DEABRO CC[C@H](C)[NH+]1CCN(C(=O)c2ccc3c(c2)ncn3C)CC1 ZINC000296975379 404397038 /nfs/dbraw/zinc/39/70/38/404397038.db2.gz OWNSOSVTDKYXME-ZDUSSCGKSA-N 1 0 300.406 2.130 40 0 DEABRO Cc1c[nH]nc1[C@H]1CCN(C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC000257200509 424888972 /nfs/dbraw/zinc/88/89/72/424888972.db2.gz ADPSANIWSHOVEG-INIZCTEOSA-N 1 0 312.417 2.409 40 0 DEABRO COc1ccc(C(=O)N2CCCC[C@@H]2[C@H]2CC[NH2+]C2)c(O)c1 ZINC000333853807 268997249 /nfs/dbraw/zinc/99/72/49/268997249.db2.gz QNANDSWZDMVTSN-SWLSCSKDSA-N 1 0 304.390 2.005 40 0 DEABRO COc1ccc2nc3n(c2c1)[C@@H](C[NH2+]Cc1ccncc1)COC3 ZINC000096112632 274143923 /nfs/dbraw/zinc/14/39/23/274143923.db2.gz OEJIRYATWACSSM-AWEZNQCLSA-N 1 0 324.384 2.301 40 0 biogenic,in-vitro DEABRO CC(=O)Nc1ccc(OC[C@@H](O)C[N@H+]2CCC[C@H](C)C2)cc1 ZINC000006455762 277080614 /nfs/dbraw/zinc/08/06/14/277080614.db2.gz GESMYNQNRCGSED-BBRMVZONSA-N 1 0 306.406 2.117 40 0 DEABRO CN1c2ncccc2C(=O)NC12CC[NH+](Cc1ccccc1)CC2 ZINC000012182232 277219052 /nfs/dbraw/zinc/21/90/52/277219052.db2.gz RPPYOXMVGUNWLS-UHFFFAOYSA-N 1 0 322.412 2.254 40 0 DEABRO c1cnc(N2CCC3(CC2)CC[NH+](C[C@@H]2CCOC2)CC3)nc1 ZINC000101138452 280499273 /nfs/dbraw/zinc/49/92/73/280499273.db2.gz UZZDFIKUAAUOIT-INIZCTEOSA-N 1 0 316.449 2.196 40 0 DEABRO CN1c2ccccc2C(=O)N(CC[NH+](C)C)c2ccccc2C1=O ZINC000005525831 289159995 /nfs/dbraw/zinc/15/99/95/289159995.db2.gz JRBXXARYECIAQB-UHFFFAOYSA-N 1 0 323.396 2.485 40 0 DEABRO CN(CC[NH+]1CCCCC1)C(=O)[C@@H]1CC(=O)Nc2ccccc21 ZINC000012325901 289651612 /nfs/dbraw/zinc/65/16/12/289651612.db2.gz DVHHLHUZHLUMFM-OAHLLOKOSA-N 1 0 315.417 2.057 40 0 DEABRO COc1ccc(NC(=S)NCCC[NH+](C)C)c2cccnc12 ZINC000225403491 201700943 /nfs/dbraw/zinc/70/09/43/201700943.db2.gz LYLROMOXTYLXSU-UHFFFAOYSA-N 1 0 318.446 2.482 40 0 DEABRO C[NH+](C)CC[C@H]1CN(C(=O)C2=CCCCC2)Cc2ccnn21 ZINC000306127441 282114877 /nfs/dbraw/zinc/11/48/77/282114877.db2.gz FYRYMCANYZNXQY-INIZCTEOSA-N 1 0 302.422 2.219 40 0 DEABRO COc1ccc([C@H]2C[C@@H](O)[C@@H](O)[C@@H]2[NH2+]Cc2ccccc2)cc1 ZINC000072321629 191120921 /nfs/dbraw/zinc/12/09/21/191120921.db2.gz VJBXUYLIUGRUBI-NCXUSEDFSA-N 1 0 313.397 2.063 40 0 biogenic,in-vitro DEABRO c1nc(CC[C@H]2CCCC[NH2+]2)cc(NCC2CCOCC2)n1 ZINC000072365441 191133728 /nfs/dbraw/zinc/13/37/28/191133728.db2.gz XOWVKOROTBDFFE-OAHLLOKOSA-N 1 0 304.438 2.390 40 0 DEABRO Cc1nn(C)c(C)c1CN(C)C(=O)CC[C@@H](C)[NH+]1CCCC1 ZINC000072390318 191147237 /nfs/dbraw/zinc/14/72/37/191147237.db2.gz BMAXYLKJRKOIRQ-CYBMUJFWSA-N 1 0 306.454 2.260 40 0 DEABRO CC[NH+](CC)C[C@H]1CN(C(=O)c2occc2C)Cc2ccnn21 ZINC000575403755 356750425 /nfs/dbraw/zinc/75/04/25/356750425.db2.gz JOBWGJSFXLTCSA-HNNXBMFYSA-N 1 0 316.405 2.323 40 0 DEABRO C[N@@H+]1CC[C@@H](COc2ccccn2)CC12CN(C1CCC1)C2 ZINC000585102875 357333698 /nfs/dbraw/zinc/33/36/98/357333698.db2.gz LPIMTDBGPKTLHB-OAHLLOKOSA-N 1 0 301.434 2.409 40 0 DEABRO Cn1cnc(C[N@@H+]2CC[C@H](O)[C@H](Cc3ccc(Cl)cc3)C2)c1 ZINC000585269071 357340124 /nfs/dbraw/zinc/34/01/24/357340124.db2.gz JMSAWXGPHVSKJJ-PBHICJAKSA-N 1 0 319.836 2.499 40 0 DEABRO CCn1cc(C[N@@H+]2CC[C@](O)(COc3ccc(C)cc3)C2)cn1 ZINC000585269436 357341160 /nfs/dbraw/zinc/34/11/60/357341160.db2.gz UHMTYPQZHOHUNR-GOSISDBHSA-N 1 0 315.417 2.227 40 0 DEABRO COC[C@@]1(CC(N)=O)CCC[N@@H+]1Cc1cccc2cccnc21 ZINC000585277587 357343273 /nfs/dbraw/zinc/34/32/73/357343273.db2.gz IXYYZZIGEHQAFQ-SFHVURJKSA-N 1 0 313.401 2.091 40 0 DEABRO c1ncc(C[C@H]2CC3(CO2)CC[NH+](C2CCOCC2)CC3)cn1 ZINC000257211186 202948728 /nfs/dbraw/zinc/94/87/28/202948728.db2.gz BXUPQUUCKPVCAP-KRWDZBQOSA-N 1 0 317.433 2.069 40 0 DEABRO Nc1cc(CC[C@H]2CN(Cc3ccc(F)cn3)CCO2)cc[nH+]1 ZINC000257315854 203040893 /nfs/dbraw/zinc/04/08/93/203040893.db2.gz VDAAUGZPULNTJN-INIZCTEOSA-N 1 0 316.380 2.032 40 0 DEABRO COc1cccc(C[NH+]2CCC3(CC2)OCCC[C@H]3O)c1F ZINC000257341819 203065700 /nfs/dbraw/zinc/06/57/00/203065700.db2.gz ZMCCVPFZMDTEJR-OAHLLOKOSA-N 1 0 309.381 2.340 40 0 DEABRO c1ccc(CO[C@H]2CO[C@@]3(CC[N@@H+](C4CCOCC4)C3)C2)nc1 ZINC000096209035 193583482 /nfs/dbraw/zinc/58/34/82/193583482.db2.gz JMJWMXFESOIHPI-MSOLQXFVSA-N 1 0 318.417 2.011 40 0 DEABRO Cc1nccn1C[C@H](C)C(=O)N[C@H](C)C[NH+]1CCCCCC1 ZINC000019287743 182112760 /nfs/dbraw/zinc/11/27/60/182112760.db2.gz ZFUQJLBEIJNEON-LSDHHAIUSA-N 1 0 306.454 2.208 40 0 DEABRO CC[N@@H+]1CCC[C@@H]1CNCc1cc2cc(OC)ccc2[nH]c1=O ZINC000023247902 182354732 /nfs/dbraw/zinc/35/47/32/182354732.db2.gz CGBQMUAOULFRLA-OAHLLOKOSA-N 1 0 315.417 2.111 40 0 DEABRO CC1CC[NH+](C[C@@H](O)COCCOc2ccc(F)cc2)CC1 ZINC000041690203 183217886 /nfs/dbraw/zinc/21/78/86/183217886.db2.gz LSQFMNJQRFSJSP-MRXNPFEDSA-N 1 0 311.397 2.314 40 0 DEABRO CC[NH+](CC)C[C@H]1Cn2nccc2CN(CC2CCOCC2)C1 ZINC000248251724 284735437 /nfs/dbraw/zinc/73/54/37/284735437.db2.gz MJTXFCILICHOAZ-QGZVFWFLSA-N 1 0 320.481 2.083 40 0 DEABRO [NH3+]Cc1nnc2ccc(-c3cccc(Br)c3)nn21 ZINC000217554345 257131369 /nfs/dbraw/zinc/13/13/69/257131369.db2.gz DMRGBFCBOBNQNH-UHFFFAOYSA-N 1 0 304.151 2.013 40 0 DEABRO C[NH+](C)CCNc1nc(Nc2ccccc2F)cc(C2CC2)n1 ZINC000328989768 257231162 /nfs/dbraw/zinc/23/11/62/257231162.db2.gz IMMRKQZCCLYENK-UHFFFAOYSA-N 1 0 315.396 2.054 40 0 DEABRO C[NH+](C)CCCNCc1ccc(OCC(=O)NC(C)(C)C)cc1 ZINC000006882413 401733536 /nfs/dbraw/zinc/73/35/36/401733536.db2.gz LMAYCZDKFHIJDA-UHFFFAOYSA-N 1 0 321.465 2.021 40 0 DEABRO CCc1[nH+]c(N)nc(N)c1-c1ccc(Cl)c(NC(C)=O)c1 ZINC000001572285 401708487 /nfs/dbraw/zinc/70/84/87/401708487.db2.gz PSXDOBPXRIJOMU-UHFFFAOYSA-N 1 0 305.769 2.482 40 0 DEABRO C[NH+](C)CCOC(=O)[C@](O)(Cc1ccccc1)c1ccccc1 ZINC000001668935 401709580 /nfs/dbraw/zinc/70/95/80/401709580.db2.gz YPVKSOYSHKHDNW-IBGZPJMESA-N 1 0 313.397 2.222 40 0 DEABRO Cc1nccn1-c1ccc(CNC(=O)[C@@H]2CCC[N@@H+](C)C2)cc1 ZINC000078578596 401856676 /nfs/dbraw/zinc/85/66/76/401856676.db2.gz RYTGIBACXOVGPY-MRXNPFEDSA-N 1 0 312.417 2.139 40 0 DEABRO CCCCCCc1c(C)nc(N2CC[NH+](CC)CC2)[nH]c1=O ZINC000014608487 401812706 /nfs/dbraw/zinc/81/27/06/401812706.db2.gz WFFOXPIUPBVAPP-UHFFFAOYSA-N 1 0 306.454 2.343 40 0 DEABRO COc1ccc(NC(=O)C[NH2+]Cc2ccc3c(c2)OCO3)cc1 ZINC000035311505 401898345 /nfs/dbraw/zinc/89/83/45/401898345.db2.gz SFMFQWQCBGTQPY-UHFFFAOYSA-N 1 0 314.341 2.152 40 0 DEABRO O=C(CC1CC1)N1C[C@@H]2C[N@H+](Cc3ccsc3)CCO[C@@H]2C1 ZINC000096108222 402059864 /nfs/dbraw/zinc/05/98/64/402059864.db2.gz ABOKPBBZICWHEQ-JKSUJKDBSA-N 1 0 320.458 2.207 40 0 DEABRO CS(=O)(=O)N1CCCC[C@@]12CCC[N@H+](Cc1ccoc1)C2 ZINC000096047410 402050588 /nfs/dbraw/zinc/05/05/88/402050588.db2.gz CAEZMZSDSBMZQI-HNNXBMFYSA-N 1 0 312.435 2.060 40 0 DEABRO CN(C)C(=O)N1CCC2(C[C@H]([N@H+](C)Cc3ccco3)CO2)CC1 ZINC000096048038 402051178 /nfs/dbraw/zinc/05/11/78/402051178.db2.gz IPIZOWZQBGSIKF-AWEZNQCLSA-N 1 0 321.421 2.017 40 0 DEABRO c1cncc(CN2CCC3(CC2)COCC[N@H+]3CC2CC2)c1 ZINC000096048919 402051326 /nfs/dbraw/zinc/05/13/26/402051326.db2.gz SSNSOZLQNOCQMJ-UHFFFAOYSA-N 1 0 301.434 2.158 40 0 DEABRO O=C(c1ccsc1)N1C[C@@H]2C[N@@H+](Cc3ccccn3)C[C@@H]2C1 ZINC000096053813 402051996 /nfs/dbraw/zinc/05/19/96/402051996.db2.gz QMXPNEVRFAAXFV-GASCZTMLSA-N 1 0 313.426 2.347 40 0 DEABRO Cc1cccc(CO[C@@H]2C[C@@H]3C[N@H+](CC4CC4)CCN3C2)n1 ZINC000096055106 402053063 /nfs/dbraw/zinc/05/30/63/402053063.db2.gz PLAAWENGSOKAHA-QZTJIDSGSA-N 1 0 301.434 2.075 40 0 DEABRO CC(C)[N@H+](C)[C@H]1c2ccccc2[C@@H]2CN(S(C)(=O)=O)C[C@@H]21 ZINC000096058335 402054098 /nfs/dbraw/zinc/05/40/98/402054098.db2.gz AXHHTJLTHGYHPA-JYJNAYRXSA-N 1 0 308.447 2.057 40 0 DEABRO Cc1ccc(C[N@H+]2CC[C@@H]3[C@@H]2CCN3C(=O)c2cccn2C)o1 ZINC000096064016 402055652 /nfs/dbraw/zinc/05/56/52/402055652.db2.gz PNIPIXVUEFRBCT-JKSUJKDBSA-N 1 0 313.401 2.416 40 0 DEABRO O=S(=O)(c1ccccc1)N1C[C@H]2C[N@H+](CC3CCCC3)[C@@H]2C1 ZINC000096080468 402056830 /nfs/dbraw/zinc/05/68/30/402056830.db2.gz IDKGSBSNWBEEJM-NVXWUHKLSA-N 1 0 320.458 2.182 40 0 DEABRO CC(C)(C)C[N@@H+]1C[C@@H]2CN(S(=O)(=O)c3ccccc3)C[C@@H]2C1 ZINC000096080853 402056838 /nfs/dbraw/zinc/05/68/38/402056838.db2.gz CGUJTFVVHLJKPS-GASCZTMLSA-N 1 0 322.474 2.285 40 0 DEABRO Cc1ccoc1C(=O)N1CC[C@]2(C1)C[C@H]([NH+]1CCCC1)CCO2 ZINC000096208243 402069384 /nfs/dbraw/zinc/06/93/84/402069384.db2.gz AOSGXYMFIAHROT-CRAIPNDOSA-N 1 0 318.417 2.448 40 0 DEABRO C[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(C(=O)C1CC1)CC2 ZINC000096209101 402069882 /nfs/dbraw/zinc/06/98/82/402069882.db2.gz OAYIBOPNABXLLI-MRXNPFEDSA-N 1 0 306.450 2.136 40 0 DEABRO CCc1ccc(C[N@@H+]2C[C@H]3OC[C@@H](Cc4nnc(C)o4)[C@H]3C2)o1 ZINC000096215603 402070724 /nfs/dbraw/zinc/07/07/24/402070724.db2.gz YRIONPMWQQZVSN-DAXOMENPSA-N 1 0 317.389 2.223 40 0 DEABRO Cn1cc(C[N@@H+]2CCC[C@]3(CCN(c4ccccc4)C3=O)C2)cn1 ZINC000096224480 402071784 /nfs/dbraw/zinc/07/17/84/402071784.db2.gz KWAKZBZYOMNHSV-IBGZPJMESA-N 1 0 324.428 2.439 40 0 DEABRO c1csc(N[C@@H]2CO[C@@]3(C2)CCC[N@@H+](C2CCOCC2)C3)n1 ZINC000096223364 402072181 /nfs/dbraw/zinc/07/21/81/402072181.db2.gz AIZWZCWIFNPLHE-XJKSGUPXSA-N 1 0 323.462 2.358 40 0 DEABRO CC(C)CN1CCNC(=O)C12CC[NH+](Cc1cccs1)CC2 ZINC000096230167 402073145 /nfs/dbraw/zinc/07/31/45/402073145.db2.gz IIBOLIOLMVGWNU-UHFFFAOYSA-N 1 0 321.490 2.171 40 0 DEABRO O=C1C[C@]2(CC[N@H+](Cc3ccccn3)C2)CN1c1cccnc1 ZINC000096239101 402073193 /nfs/dbraw/zinc/07/31/93/402073193.db2.gz OUWDZAZORWTELD-SFHVURJKSA-N 1 0 308.385 2.106 40 0 DEABRO c1cc(-c2ncnc3c2CC[N@H+](CC2CCOCC2)CC3)ccn1 ZINC000096255261 402075645 /nfs/dbraw/zinc/07/56/45/402075645.db2.gz PQLCJVCNXIPOOH-UHFFFAOYSA-N 1 0 324.428 2.366 40 0 DEABRO CCN(C(=O)c1ccc2nnc([C@H]3CC[N@H+](C)C3)n2c1)C(C)C ZINC000096156121 402062757 /nfs/dbraw/zinc/06/27/57/402062757.db2.gz YLYGDAZBNFVLGA-ZDUSSCGKSA-N 1 0 315.421 2.019 40 0 DEABRO Cn1cccc1C(=O)NCc1cncc2c1CC[N@H+](CC1CC1)C2 ZINC000096189502 402066732 /nfs/dbraw/zinc/06/67/32/402066732.db2.gz JNRNMMQQDMFJCO-UHFFFAOYSA-N 1 0 324.428 2.118 40 0 DEABRO Cc1ccc(C[N@H+]2CCc3ncc(CN(C)C)n3CC2)s1 ZINC000096196780 402067307 /nfs/dbraw/zinc/06/73/07/402067307.db2.gz HQWLCKVRYJSUKB-UHFFFAOYSA-N 1 0 304.463 2.373 40 0 DEABRO O=C1NC2(C[C@H]1c1cccnc1)CC[NH+](Cc1ccco1)CC2 ZINC000096199453 402068061 /nfs/dbraw/zinc/06/80/61/402068061.db2.gz GRSGYHWWNPANLN-INIZCTEOSA-N 1 0 311.385 2.313 40 0 DEABRO C[NH+](C)[C@@H]1CCN(C(=O)NC2CCCC2)[C@H]1Cc1cccnc1 ZINC000096200861 402068212 /nfs/dbraw/zinc/06/82/12/402068212.db2.gz NOLUCLRSWNAMBL-SJORKVTESA-N 1 0 316.449 2.281 40 0 DEABRO O=C([C@H]1C[C@@H]2CC[N@H+](Cc3ccsc3)C[C@H]2O1)N1CCCC1 ZINC000097953802 402133963 /nfs/dbraw/zinc/13/39/63/402133963.db2.gz FHKDWHABYHMNPB-ARFHVFGLSA-N 1 0 320.458 2.350 40 0 DEABRO CC1(C)[C@H](Cc2cc(CCO)on2)C[C@@H]1[NH2+]Cc1ccccn1 ZINC000067889756 402177230 /nfs/dbraw/zinc/17/72/30/402177230.db2.gz OJIYHPMSUAVMQP-DYVFJYSZSA-N 1 0 315.417 2.351 40 0 biogenic,in-vitro DEABRO O=C(NC1CCCC1)[C@@H]1C[C@H]2OCC[C@H]2[N@H+](Cc2ccoc2)C1 ZINC000107710918 402239083 /nfs/dbraw/zinc/23/90/83/402239083.db2.gz YFNZTHGMCAPOAF-DJIMGWMZSA-N 1 0 318.417 2.318 40 0 DEABRO O=C(C[C@H]1[C@H]2C[N@@H+](Cc3ccncc3)C[C@@H]12)Nc1cccnc1 ZINC000107746021 402239612 /nfs/dbraw/zinc/23/96/12/402239612.db2.gz IVTJSVWJOZEGIH-BJWYYQGGSA-N 1 0 308.385 2.183 40 0 DEABRO CC(C)[N@H+](C)C[C@H]1CC[C@]2(COCCN(Cc3ccco3)C2)O1 ZINC000107739527 402239710 /nfs/dbraw/zinc/23/97/10/402239710.db2.gz ZMLABWUUYFWIMN-MSOLQXFVSA-N 1 0 322.449 2.370 40 0 DEABRO O=C(C[C@H]1[C@H]2C[N@@H+](Cc3ccncc3)C[C@@H]12)NCc1ccco1 ZINC000107745971 402240272 /nfs/dbraw/zinc/24/02/72/402240272.db2.gz XNFAYSJXINVGIJ-BJWYYQGGSA-N 1 0 311.385 2.059 40 0 DEABRO C[NH+](C)CCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1ccco1 ZINC000223252194 402309949 /nfs/dbraw/zinc/30/99/49/402309949.db2.gz ODNXWUXNBOGPDB-CABCVRRESA-N 1 0 316.430 2.209 40 0 DEABRO Cc1nc2sccn2c1C[NH+]1CCC2(CC1)OCCC[C@H]2O ZINC000257245693 402708302 /nfs/dbraw/zinc/70/83/02/402708302.db2.gz IQQSLUACERQZMQ-CQSZACIVSA-N 1 0 321.446 2.210 40 0 DEABRO CC(=O)Nc1ncc(-c2cnc(C3CC[NH+](C)CC3)cn2)s1 ZINC000257256123 402709356 /nfs/dbraw/zinc/70/93/56/402709356.db2.gz KKEFXJPDCPETAO-UHFFFAOYSA-N 1 0 317.418 2.368 40 0 DEABRO Cc1cnc(OC[C@H]2CCn3nccc3C[N@@H+]2C2CCC2)nc1 ZINC000585096988 405867065 /nfs/dbraw/zinc/86/70/65/405867065.db2.gz GJEMUIPMRYMFQQ-MRXNPFEDSA-N 1 0 313.405 2.187 40 0 DEABRO CC(C)N(C(=O)OC(C)(C)C)C1CCC(NC(=O)C[NH3+])CC1 ZINC000079409307 279299308 /nfs/dbraw/zinc/29/93/08/279299308.db2.gz ATIZSGOWKDTQIO-UHFFFAOYSA-N 1 0 313.442 2.018 40 0 DEABRO O=C(OCc1ccccc1)N(C1CC1)[C@H]1CCC[N@@H+](CCO)C1 ZINC000079411265 185170019 /nfs/dbraw/zinc/17/00/19/185170019.db2.gz RVKFWGKRCHJUPE-KRWDZBQOSA-N 1 0 318.417 2.244 40 0 DEABRO CCN(C[C@@H]1CCCN(CC[NH3+])C1)C(=O)OCc1ccccc1 ZINC000079411608 185170035 /nfs/dbraw/zinc/17/00/35/185170035.db2.gz PVSYACXGHKRIOH-QGZVFWFLSA-N 1 0 319.449 2.316 40 0 DEABRO CCN(C(=O)OCc1ccccc1)[C@H]1CCC[N@H+](CCO)C1 ZINC000079411045 185170072 /nfs/dbraw/zinc/17/00/72/185170072.db2.gz NOYQRSXYTXFLGU-INIZCTEOSA-N 1 0 306.406 2.102 40 0 DEABRO Cc1nnc2n1C1(CC[NH+](Cc3cccs3)CC1)CN(C)C2 ZINC000306124259 231083861 /nfs/dbraw/zinc/08/38/61/231083861.db2.gz BKVJWIHOYYFYAH-UHFFFAOYSA-N 1 0 317.462 2.085 40 0 DEABRO O=C([O-])C[N@H+](C[C@H]1CCC[NH+](Cc2ccccc2)C1)C1CC1 ZINC000079393465 185168701 /nfs/dbraw/zinc/16/87/01/185168701.db2.gz ODVKTMIVOCUGLY-INIZCTEOSA-N 1 0 302.418 2.448 40 0 DEABRO Cc1nscc1C(=O)NCC1([NH+]2CCCCC2)CCOCC1 ZINC000179689465 186205860 /nfs/dbraw/zinc/20/58/60/186205860.db2.gz TZJHMEIYUASTQY-UHFFFAOYSA-N 1 0 323.462 2.216 40 0 DEABRO C[N@@H+]1CCCC[C@]1(C)C(=O)N1CCC(Cc2cccnn2)CC1 ZINC000072367354 191136546 /nfs/dbraw/zinc/13/65/46/191136546.db2.gz HNYXRCLJROKXNC-GOSISDBHSA-N 1 0 316.449 2.132 40 0 DEABRO Cc1cnc(Nc2cccc([C@H]3CCCN3C(=O)C[NH3+])n2)s1 ZINC000072382975 191143096 /nfs/dbraw/zinc/14/30/96/191143096.db2.gz STLQNMQOLVOGNW-GFCCVEGCSA-N 1 0 317.418 2.212 40 0 DEABRO CC(=O)CC[C@@]1(c2cc[n+](C)cc2)CC[C@@](C)(O)[C@H](C(C)=O)C1 ZINC000005125314 181206353 /nfs/dbraw/zinc/20/63/53/181206353.db2.gz HIKLFVACCNRXKO-IPMKNSEASA-N 1 0 318.437 2.258 40 0 DEABRO O=C(c1ccnc(F)c1)N1CC[C@@]2(CCC[N@@H+]2CC2CC2)C1 ZINC000585099701 357332951 /nfs/dbraw/zinc/33/29/51/357332951.db2.gz YOPMZCNTXNDSKU-KRWDZBQOSA-N 1 0 303.381 2.311 40 0 DEABRO COCC[C@H]1CCOC12CC[NH+](Cc1cccnc1OC)CC2 ZINC000585105558 357334287 /nfs/dbraw/zinc/33/42/87/357334287.db2.gz ZUAPZQMPQKTOEQ-INIZCTEOSA-N 1 0 320.433 2.498 40 0 DEABRO Cc1ccc(OC[C@@]2(O)CC[N@H+](CC3CCOCC3)C2)cc1 ZINC000585269420 357340717 /nfs/dbraw/zinc/34/07/17/357340717.db2.gz STLQLOVJJOURCO-GOSISDBHSA-N 1 0 305.418 2.237 40 0 DEABRO O[C@]1(COc2ccc(Cl)cc2)COCC[N@@H+](C2CCC2)C1 ZINC000585280866 357343734 /nfs/dbraw/zinc/34/37/34/357343734.db2.gz AZHYYWZVOFPJIA-INIZCTEOSA-N 1 0 311.809 2.335 40 0 DEABRO CC[NH2+]CCNc1nc(Cl)nc(Nc2cccc(F)c2)n1 ZINC000199799295 201426188 /nfs/dbraw/zinc/42/61/88/201426188.db2.gz ATKPHSAZFVUDSG-UHFFFAOYSA-N 1 0 310.764 2.429 40 0 DEABRO COCCC(=O)N1CCC[C@@H]1c1cccc(C[NH+]2CCCC2)n1 ZINC000257273636 203002042 /nfs/dbraw/zinc/00/20/42/203002042.db2.gz NHMYGYZCSYRZHO-QGZVFWFLSA-N 1 0 317.433 2.377 40 0 DEABRO [NH3+]Cc1cn(-c2ccccc2C(=O)NCc2cccc(F)c2)cn1 ZINC000257300401 203025292 /nfs/dbraw/zinc/02/52/92/203025292.db2.gz RUDHPHSHMMOIPB-UHFFFAOYSA-N 1 0 324.359 2.400 40 0 DEABRO Cc1cccc(CNc2n[nH]c3nc([C@H]4CC[NH2+]C4)ccc23)n1 ZINC000257310677 203035304 /nfs/dbraw/zinc/03/53/04/203035304.db2.gz UGBVKZFLQUWZOR-LBPRGKRZSA-N 1 0 308.389 2.350 40 0 DEABRO O[C@H]1CCCOC12CC[NH+](CC1=Cc3ccccc3OC1)CC2 ZINC000257332406 203055035 /nfs/dbraw/zinc/05/50/35/203055035.db2.gz XXFJBGWFSMSZMG-SFHVURJKSA-N 1 0 315.413 2.468 40 0 DEABRO COc1ccccc1CC(=O)N1CCC[C@]2(C)[NH2+]CCC[C@@H]12 ZINC000257338511 203060494 /nfs/dbraw/zinc/06/04/94/203060494.db2.gz YXUAWIYMPQUPBC-AEFFLSMTSA-N 1 0 302.418 2.371 40 0 DEABRO O=C(Cc1ccccc1)N1CCc2nc([C@@H]3CCC[NH2+]3)ncc2C1 ZINC000019370289 182119971 /nfs/dbraw/zinc/11/99/71/182119971.db2.gz QWQHUSWJOUAKBN-KRWDZBQOSA-N 1 0 322.412 2.029 40 0 DEABRO CCC[C@@H](c1nnnn1CCC(C)C)N1CC[NH+](CC)CC1 ZINC000019501897 182126207 /nfs/dbraw/zinc/12/62/07/182126207.db2.gz VNWQAOKMQVWCNO-HNNXBMFYSA-N 1 0 308.474 2.198 40 0 DEABRO Cc1nn(C)cc1C[N@@H+]1CC[C@H](c2nc(-c3ccncc3)no2)C1 ZINC000019583746 182132519 /nfs/dbraw/zinc/13/25/19/182132519.db2.gz YYRGCSQCMRMMDT-AWEZNQCLSA-N 1 0 324.388 2.163 40 0 DEABRO CCOc1nc(CC2CC[NH2+]CC2)cc(Nc2cc(C)[nH]n2)n1 ZINC000257219949 256618410 /nfs/dbraw/zinc/61/84/10/256618410.db2.gz DIYIFFIMSOGKTD-UHFFFAOYSA-N 1 0 316.409 2.193 40 0 DEABRO Brc1ccc(C[NH2+]CCCN2CCOCC2)cc1 ZINC000006322085 401731388 /nfs/dbraw/zinc/73/13/88/401731388.db2.gz PCINFDFVSAFAJW-UHFFFAOYSA-N 1 0 313.239 2.261 40 0 DEABRO CCC[NH2+]Cc1ccc(OCC(=O)NC(C)(C)C)c(OC)c1 ZINC000007262351 401738480 /nfs/dbraw/zinc/73/84/80/401738480.db2.gz MAOIRMXAAJXNMM-UHFFFAOYSA-N 1 0 308.422 2.488 40 0 DEABRO COc1ccc(O[C@@H](C)C(=O)NCCC[NH+]2CCCCC2)cc1 ZINC000013670598 401802596 /nfs/dbraw/zinc/80/25/96/401802596.db2.gz HVOVSVQOJYNYNY-HNNXBMFYSA-N 1 0 320.433 2.455 40 0 DEABRO Cc1c2ccccc2oc1C(=O)OC(CN(C)C)C[NH+](C)C ZINC000012651049 401789681 /nfs/dbraw/zinc/78/96/81/401789681.db2.gz QSGBSXMMWXICRD-UHFFFAOYSA-N 1 0 304.390 2.390 40 0 DEABRO Cc1cc2nc([C@H]3CCC[N@H+](Cc4ccncc4)C3)cc(N)n2n1 ZINC000019129365 401821551 /nfs/dbraw/zinc/82/15/51/401821551.db2.gz YTULZVIRZWXXJO-HNNXBMFYSA-N 1 0 322.416 2.395 40 0 DEABRO C[C@@H]1C[C@H](C)C[N@@H+](C[C@H](O)COc2ccc3c(c2)OCO3)C1 ZINC000037530383 401915213 /nfs/dbraw/zinc/91/52/13/401915213.db2.gz MBGJDHGOOZFDKI-MJBXVCDLSA-N 1 0 307.390 2.133 40 0 DEABRO Cc1ccc(C[N@H+]2CC[C@H](c3nnc(-c4cncn4C)o3)C2)o1 ZINC000049170475 402013726 /nfs/dbraw/zinc/01/37/26/402013726.db2.gz IDHUYDLBRPCOSQ-LBPRGKRZSA-N 1 0 313.361 2.361 40 0 biogenic,in-vitro DEABRO COCC[N@@H+]1CC[C@H]2OCCC[C@]2(COCc2cccnc2)C1 ZINC000096040120 402048233 /nfs/dbraw/zinc/04/82/33/402048233.db2.gz IDIYRJKYAQCZTE-QZTJIDSGSA-N 1 0 320.433 2.116 40 0 DEABRO c1ccc(O[C@@H]2C[N@@H+](Cc3cccnc3)[C@@H]3CCCO[C@H]23)nc1 ZINC000096042585 402049859 /nfs/dbraw/zinc/04/98/59/402049859.db2.gz ULBCMDKZBUXKQR-NUJGCVRESA-N 1 0 311.385 2.287 40 0 DEABRO CS(=O)(=O)N1CCCC[C@]12CCC[N@H+](Cc1ccco1)C2 ZINC000096047407 402050096 /nfs/dbraw/zinc/05/00/96/402050096.db2.gz NYCBBYOLETUHHX-OAHLLOKOSA-N 1 0 312.435 2.060 40 0 DEABRO c1cnc(N2CCC[C@@]3(CC[N@@H+](Cc4cccnc4)C3)C2)nc1 ZINC000096047158 402050344 /nfs/dbraw/zinc/05/03/44/402050344.db2.gz ABFYUKILRKSJIT-SFHVURJKSA-N 1 0 309.417 2.364 40 0 DEABRO Fc1cnc(N[C@H]2CO[C@]3(C2)CCC[N@H+](CC2CC2)C3)nc1 ZINC000096048528 402051144 /nfs/dbraw/zinc/05/11/44/402051144.db2.gz OTFFWIMDPFXUBN-ZBFHGGJFSA-N 1 0 306.385 2.061 40 0 DEABRO O=C([C@@H]1C[N@H+](Cc2ccco2)CC12CCOCC2)N1CCCC1 ZINC000096052172 402052065 /nfs/dbraw/zinc/05/20/65/402052065.db2.gz LIJYGAKGQCGZSP-INIZCTEOSA-N 1 0 318.417 2.131 40 0 DEABRO O=C(c1ccco1)N1C[C@H]2CCC[N@H+](CC3CCOCC3)[C@H]2C1 ZINC000096054200 402052421 /nfs/dbraw/zinc/05/24/21/402052421.db2.gz QXAVGKNTRGHUGZ-CVEARBPZSA-N 1 0 318.417 2.243 40 0 DEABRO COc1ccc(C[N@@H+]2CC[C@H]3[C@H]2CC(=O)N3c2cccnc2)cc1 ZINC000096055704 402052613 /nfs/dbraw/zinc/05/26/13/402052613.db2.gz IAJGYHZVJLOHAD-ZWKOTPCHSA-N 1 0 323.396 2.470 40 0 DEABRO c1coc(CN2CC[N@@H+]3C[C@@H](OCc4cccnc4)C[C@@H]3C2)c1 ZINC000096055020 402052784 /nfs/dbraw/zinc/05/27/84/402052784.db2.gz ADWRFSHBGVCHRA-AEFFLSMTSA-N 1 0 313.401 2.150 40 0 DEABRO C[NH+](C)C[C@@H]1Cn2ccnc2CN(Cc2ccc(F)cc2)C1 ZINC000096059177 402054277 /nfs/dbraw/zinc/05/42/77/402054277.db2.gz VOTKMOHPQUYEMY-HNNXBMFYSA-N 1 0 302.397 2.216 40 0 DEABRO CCCN1Cc2nccn2C[C@@H](C[N@H+](C)Cc2ccco2)C1 ZINC000096067117 402055535 /nfs/dbraw/zinc/05/55/35/402055535.db2.gz RQKKRRAXLRNSJU-HNNXBMFYSA-N 1 0 302.422 2.450 40 0 DEABRO COCCC(=O)N1CC[C@@]2(CC[N@H+](Cc3ccc(C)o3)C2)C1 ZINC000096071117 402056289 /nfs/dbraw/zinc/05/62/89/402056289.db2.gz HEYMHNMECJDRGE-QGZVFWFLSA-N 1 0 306.406 2.049 40 0 DEABRO O=C1NC2(C[C@H]1c1cccnc1)CC[NH+](Cc1ccncc1)CC2 ZINC000096087437 402057646 /nfs/dbraw/zinc/05/76/46/402057646.db2.gz XJBOMYHVCWLFNF-KRWDZBQOSA-N 1 0 322.412 2.115 40 0 DEABRO O=C(C[C@]12COC[C@H]1C[N@H+](Cc1ccccc1)C2)NCC1CC1 ZINC000096206259 402069753 /nfs/dbraw/zinc/06/97/53/402069753.db2.gz LFWHMKGKILMMPZ-MJGOQNOKSA-N 1 0 314.429 2.051 40 0 DEABRO Cn1cc(C[N@@H+]2CC[C@]3(CC(=O)N(c4ccccc4)C3)C2)cn1 ZINC000096238419 402073379 /nfs/dbraw/zinc/07/33/79/402073379.db2.gz JRGXSOCJBOYWJX-SFHVURJKSA-N 1 0 310.401 2.049 40 0 DEABRO O=C(c1cccs1)N1C[C@@H]2CC[N@H+](C[C@@H]3CCCO3)C[C@@H]2C1 ZINC000096246139 402074005 /nfs/dbraw/zinc/07/40/05/402074005.db2.gz QAXMHWHLVVZNCN-ZNMIVQPWSA-N 1 0 320.458 2.321 40 0 DEABRO FC1(F)CC[N@H+](CC2CC2)C[C@@]12CCN(c1cnccn1)C2 ZINC000096239747 402074305 /nfs/dbraw/zinc/07/43/05/402074305.db2.gz IUXJCHQGQNBZPV-OAHLLOKOSA-N 1 0 308.376 2.424 40 0 DEABRO O=c1ccc2c(n1Cc1ccncc1)CC[N@H+](CC1CC1)CC2 ZINC000096196725 402067456 /nfs/dbraw/zinc/06/74/56/402067456.db2.gz YGNSLULLBPFUFJ-UHFFFAOYSA-N 1 0 309.413 2.102 40 0 DEABRO CC[NH+](CC)Cc1cn2c(n1)CN(Cc1nccs1)CC2 ZINC000096197180 402067578 /nfs/dbraw/zinc/06/75/78/402067578.db2.gz XOAMDWFSWAEROS-UHFFFAOYSA-N 1 0 305.451 2.197 40 0 DEABRO CC(C)NC(=O)[C@@H]1C[C@@H]2CC[N@H+](CCc3ccccc3)C[C@@H]2O1 ZINC000097953600 402133975 /nfs/dbraw/zinc/13/39/75/402133975.db2.gz NWEYDZJOTSJOBT-BZSNNMDCSA-N 1 0 316.445 2.233 40 0 DEABRO c1ccc(C[N@@H+]2CC[C@]3(C[C@@H](Nc4cnccn4)CO3)C2)cc1 ZINC000107226460 402227994 /nfs/dbraw/zinc/22/79/94/402227994.db2.gz BLLLVAZJEIVAGU-AEFFLSMTSA-N 1 0 310.401 2.322 40 0 DEABRO Cn1cc(C[N@@H+]2CC[C@H]3OCCC[C@@]3(COCC3CC3)C2)cn1 ZINC000107711937 402239237 /nfs/dbraw/zinc/23/92/37/402239237.db2.gz TUDBNEXZGGSTBJ-MSOLQXFVSA-N 1 0 319.449 2.218 40 0 DEABRO C[NH+](C)C[C@@H]1CCC2(CN(C(=O)c3ccc(F)c(F)c3)C2)OC1 ZINC000248069345 402582195 /nfs/dbraw/zinc/58/21/95/402582195.db2.gz AQCIPILSGUUOLJ-LBPRGKRZSA-N 1 0 324.371 2.148 40 0 DEABRO COc1ccc(CN2CC[N@@H+]3C[C@H](OCC4CC4)C[C@H]3C2)cc1 ZINC000247874315 402577432 /nfs/dbraw/zinc/57/74/32/402577432.db2.gz GASPNUSGLRSTIH-PKOBYXMFSA-N 1 0 316.445 2.380 40 0 DEABRO CCN(C(=O)OC(C)(C)C)[C@H]1CC[C@H](NC(=O)[C@H](C)[NH3+])CC1 ZINC000252517185 402657804 /nfs/dbraw/zinc/65/78/04/402657804.db2.gz BSBDPKZEEHABGV-AVGNSLFASA-N 1 0 313.442 2.018 40 0 DEABRO C[NH+](C)C[C@@]1(O)CCN(C(=O)c2cc3ccccc3s2)C1 ZINC000257220530 402704770 /nfs/dbraw/zinc/70/47/70/402704770.db2.gz DLDDWLVQAPQHED-INIZCTEOSA-N 1 0 304.415 2.040 40 0 DEABRO Cc1ccccc1S(=O)(=O)N1CC[C@H]2[NH2+]CCCC[C@H]2C1 ZINC000257231840 402706455 /nfs/dbraw/zinc/70/64/55/402706455.db2.gz GIJGNPVCFLFYGQ-LSDHHAIUSA-N 1 0 308.447 2.148 40 0 DEABRO CC(=O)NCc1ccc([C@H]2CCC[N@@H+]2Cc2ccncc2)nc1 ZINC000257250132 402709102 /nfs/dbraw/zinc/70/91/02/402709102.db2.gz JLDNDJDLCSJBKX-GOSISDBHSA-N 1 0 310.401 2.450 40 0 DEABRO Cc1nc([C@H]2CCC[NH2+]C2)ncc1C(=O)NCc1ccccc1 ZINC000257265607 402710675 /nfs/dbraw/zinc/71/06/75/402710675.db2.gz LZKIMOMESJQCMO-HNNXBMFYSA-N 1 0 310.401 2.182 40 0 DEABRO C[N@@H+]1CCC[C@H](Cc2cccc(N3CCC(O)CC3)n2)CC1 ZINC000257269742 402711063 /nfs/dbraw/zinc/71/10/63/402711063.db2.gz MRFAEMVRPDYHOG-HNNXBMFYSA-N 1 0 303.450 2.317 40 0 DEABRO O[C@@H]1CCCOC12CC[NH+](CCOc1ccc(F)cc1)CC2 ZINC000257201429 402702621 /nfs/dbraw/zinc/70/26/21/402702621.db2.gz AHRAPAWICKILSP-MRXNPFEDSA-N 1 0 309.381 2.210 40 0 DEABRO Cc1noc(C)c1-c1ccc([C@@H]2CCCN(C(=O)C[NH3+])C2)nc1 ZINC000257206905 402703275 /nfs/dbraw/zinc/70/32/75/402703275.db2.gz BFJZOXQPVNWNFW-CQSZACIVSA-N 1 0 314.389 2.018 40 0 DEABRO COc1ccc([C@H]2Nc3ncnn3[C@@H](c3ccccc3)[C@@H]2[NH3+])cc1 ZINC000015830344 274117802 /nfs/dbraw/zinc/11/78/02/274117802.db2.gz IWWSVINQONJVDG-ZACQAIPSSA-N 1 0 321.384 2.370 40 0 DEABRO CC(=O)Nc1ccc(OC[C@@H](O)C[N@H+]2CCCC[C@H]2C)cc1 ZINC000004280275 277080190 /nfs/dbraw/zinc/08/01/90/277080190.db2.gz CDVQOWBNNPSLBF-CJNGLKHVSA-N 1 0 306.406 2.259 40 0 DEABRO CC(C)CN1C(=O)CC2(CC[NH+](CCO)CC2)c2ccccc21 ZINC000096243952 277381821 /nfs/dbraw/zinc/38/18/21/277381821.db2.gz DFMMEJJASHYAND-UHFFFAOYSA-N 1 0 316.445 2.405 40 0 DEABRO [NH3+]C[C@H]1CC[C@@H](NC(=O)N2CCCN(c3ccccc3)CC2)C1 ZINC000583984486 331515147 /nfs/dbraw/zinc/51/51/47/331515147.db2.gz QEODGPLGYHZOEK-JKSUJKDBSA-N 1 0 316.449 2.036 40 0 DEABRO